Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.37 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CDC25A | P30304 | 1/20 | 0.36 |
| ▸ | CDC25B | P30305 | 1/20 | 0.36 |
| ▸ | CDC25C | P30307 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3220608 | 0.84 | CES1 (0.43) | KDM4ECYP1A2CYP2C9CYP2C19KMT2A | |
| SCHEMBL3229827 | 0.81 | KMT2A (0.43) | KDM4EL3MBTL1CYP1A2CYP2C9KMT2A | |
| SCHEMBL3217886 | 0.81 | KDM5A (0.43) | KDM4EALDH1A1 | |
| SCHEMBL3216626 | 0.80 | CYP1A2 (0.40) | L3MBTL1HPGDCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3220725 | 0.80 | L3MBTL1 (0.45) | L3MBTL1CYP1A2CYP2C9CYP2C19NPSR1 | |
| SCHEMBL4672664 | 0.79 | P4HTM (0.41) | L3MBTL1 | |
| SCHEMBL3220747 | 0.78 | HTR1A (0.39) | L3MBTL1HPGDCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3224654 | 0.78 | TP53 (0.33) | KDM4EL3MBTL1HPGDCYP1A2CYP2C9 | |
| SCHEMBL4675912 | 0.77 | KDM5A (0.47) | KDM4EL3MBTL1HPGDNPSR1KMT2A | |
| SCHEMBL4677829 | 0.77 | ALDH1A1 (0.41) | KDM4EL3MBTL1HPGDCYP1A2CYP2C9 |
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 | KDM4E 947/4885L3MBTL1 1170/4885HPGD 2816/4885 |
| US-20040039060-A1 | Inhibitor for enzyme having two divalent metal ions as active centers | GAA, CMA1, MMEL1 | KDM4E 2317/4885L3MBTL1 4177/4885HPGD 668/4885 |
“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.