Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4673718 | 0.87 | NFE2L2 (0.46) | KMT2AALDH1A1CYP1A2 | |
| SCHEMBL3220721 | 0.86 | L3MBTL1 (0.43) | KMT2AALDH1A1PTGS2CYP1A2 | |
| SCHEMBL3216621 | 0.82 | CYP1A2 (0.41) | KMT2AALDH1A1CYP1A2 | |
| SCHEMBL3225906 | 0.82 | KDM4E (0.39) | KMT2AALDH1A1HCAR2CYP1A2 | |
| SCHEMBL3220602 | 0.78 | MEN1 (0.40) | KMT2AGPR52PTGS2CYP1A2 | |
| SCHEMBL4677573 | 0.78 | KMT2A (0.46) | KMT2AALDH1A1CYP1A2 | |
| SCHEMBL3229741 | 0.78 | GPR52 (0.37) | ALDH1A1GPR52 | |
| SCHEMBL3229827 | 0.77 | KMT2A (0.43) | TBXAS1KMT2AATMEPHX2GAA | |
| SCHEMBL4672661 | 0.76 | P4HTM (0.40) | KMT2AALDH1A1 | |
| SCHEMBL3223385 | 0.76 | KDM4E (0.46) | KMT2AALDH1A1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100068695-A1 | Inhibitor for enzyme having two divalent metal ions as active center | KIYAMA RYUICHI | 2010-03-18 | — | — | US | disclosed |
| EP-1142872-B1 | AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES | SHIONOGI & CO (JP) | 2008-10-15 | — | — | EP | disclosed |
| US-7098201-B2 | Heteroaromatic derivatives having an inhibitory activity against HIV integrase | SHIONOGI & CO., LTD. (JP) | 2006-08-29 | — | — | US | disclosed |
| US-20040039060-A1 | Inhibitor for enzyme having two divalent metal ions as active centers | SHIONOGI & CO., LTD. (JP) | 2004-02-26 | — | — | US | 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 |
| EP-1297834-A1 | INHIBITOR FOR ENZYME HAVING TWO DIVALENT METAL IONS AS ACTIVE CENTERS | SHIONOGI & CO., LTD. (JP) | 2003-04-02 | — | — | EP | 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 (2 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 | TBXAS1 3205/4885KMT2A 597/4885ATM 3662/4885 |
| US-20040039060-A1 | Inhibitor for enzyme having two divalent metal ions as active centers | GAA, CMA1, MMEL1 | TBXAS1 3344/4885KMT2A 1875/4885ATM 4729/4885 |
“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.