Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.52 |
| ▸ | DRD4 | P21917 | 2/20 | 0.52 |
| ▸ | DRD3 | P35462 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL23575977 | 0.84 | ALDH1A1 (0.49) | DRD2DRD4DRD3ALDH1A1LMNA | |
| SCHEMBL1680524 | 0.82 | DRD2 (0.43) | DRD2DRD4DRD3CA12CA9 | |
| SCHEMBL28138874 | 0.81 | CA1 (0.44) | DRD2DRD4DRD3CYP2C19CA12 | |
| SCHEMBL511716 | 0.80 | NPC1 (0.55) | ALDH1A1LMNAPOLBCYP11B1CYP11B2 | |
| SCHEMBL15177150 | 0.79 | CA12 (0.42) | DRD2DRD4DRD3CYP2C19CA12 | |
| SCHEMBL9435256 | 0.78 | CYP2C19 (0.47) | DRD2DRD4DRD3CYP2C19CA12 | |
| SCHEMBL10667135 | 0.77 | CA12 (0.41) | DRD2DRD4DRD3CYP2C19CA12 | |
| SCHEMBL510539 | 0.76 | HSP90AA1 (0.55) | CYP2C19CA12CA1CA2CA9 | |
| SCHEMBL510540 | 0.76 | HSP90AA1 (0.55) | CYP2C19CA12CA1CA2CA9 | |
| SCHEMBL16347292 | 0.74 | CHRM2 (0.46) | DRD4CYP19A1CYP11B1CYP11B2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 80 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3016934-B1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME | MILLENNIUM PHARM INC (US) | 2018-01-10 | — | — | EP | disclosed |
| US-9695154-B2 | Heteroaryl inhibitors of sumo activating enzyme | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2017-07-04 | — | — | US | disclosed |
| US-9695154-B2 | Heteroaryl inhibitors of sumo activating enzyme | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2017-07-04 | — | — | US | disclosed |
| US-9695154-B2 | Heteroaryl inhibitors of sumo activating enzyme | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2017-07-04 | — | — | US | disclosed |
| CN-105418606-B | The preparation method of 8 benzyl 2,8 diazabicyclo [4,3,0] nonane | 浙江省诸暨合力化学对外贸易有限公司 | 2017-03-08 | — | — | CN | disclosed |
| US-20160355504-A1 | HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2016-12-08 | — | — | US | disclosed |
| US-20160355504-A1 | HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2016-12-08 | — | — | US | disclosed |
| US-20160355504-A1 | HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2016-12-08 | — | — | US | disclosed |
| EP-3016934-A2 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME | Millennium Pharmaceuticals, Inc. (US) | 2016-05-11 | — | — | EP | disclosed |
| WO-2015002994-A2 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2015-01-08 | — | — | WO | disclosed |
| US-20070105904-A1 | 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2007-05-10 | — | — | US | disclosed |
| US-20070105904-A1 | 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2007-05-10 | — | — | US | disclosed |
| EP-1782811-A1 | NOVEL ANTIMALARIA AGENT CONTAINING HETEROCYCLIC COMPOUND | Eisai R&D Management Co., Ltd. (JP) | 2007-05-09 | — | — | EP | disclosed |
| US-7098201-B2 | Heteroaromatic derivatives having an inhibitory activity against HIV integrase | SHIONOGI & CO., LTD. (JP) | 2006-08-29 | — | — | US | disclosed |
| EP-1669348-A1 | NOVEL ANTIFUNGAL AGENT COMPRISING HETEROCYCLIC COMPOUND | Eisai Co., Ltd. (JP) | 2006-06-14 | — | — | EP | disclosed |
| US-20040002485-A1 | Heteroaromatic derivatives having an inhibitory activity against HIV integrase | FUJISHITA TOSHIO (JP) | 2004-01-01 | — | — | US | disclosed |
| US-6645956-B1 | 1-(5-(4-fluorobenzyl)furan-2-yl)-3-hydroxy-3-(1H-1,2,4-triazol-3 -yl)-propenone; viricides; AIDS treatment | SHIONOGI & CO., LTD. (JP) | 2003-11-11 | — | — | US | disclosed |
| US-6620841-B1 | Furan or benzofuran derivatives substituted with triazole; acquired immunodeficiency syndrome (AIDS) | SHIONOGI & CO., LTD. (JP) | 2003-09-16 | — | — | US | disclosed |
| CN-1335834-A | Aromatic heterocyclic compounds having HIV integrase inhibitory activity | SHIONOGI & CO (JP) | 2002-02-13 | — | — | CN | disclosed |
| EP-1142872-A1 | AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES | SHIONOGI & CO., LTD. (JP) | 2001-10-10 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040002485-A1 | Heteroaromatic derivatives having an inhibitory activity against HIV integrase | RCOR1, BCOR, CYP8B1 | DRD2 1645/4885DRD4 875/4885DRD3 1893/4885 |
| US-20070105904-A1 | 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells | GPI, ERG28, MAN2A1 | DRD2 899/4885DRD4 2384/4885DRD3 1246/4885 |
| US-20160355504-A1 | HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME | SAE1, SUMO2, SUMO1 | DRD2 4159/4885DRD4 4380/4885DRD3 4120/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.