Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR3 | P49682 | 6/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
| ▸ | RPA1 | P27694 | 1/20 | 0.31 |
| ▸ | XDH | P47989 | 1/20 | 0.31 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.31 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4672334 | 0.90 | ERCC5 (0.38) | ALDH1A1NAMPTCYP2C19HDAC3HDAC4 | |
| SCHEMBL4674711 | 0.89 | CXCR3 (0.33) | CXCR3AKR1B1CYP2C19HDAC3HDAC4 | |
| SCHEMBL4670860 | 0.82 | ALDH1A1 (0.33) | ALDH1A1CYP3A4MAPK1AKR1B1NAMPT | |
| SCHEMBL4679761 | 0.81 | ALDH1A1 (0.36) | CXCR3ALDH1A1CYP3A4MAPK1TBXA2R | |
| SCHEMBL4670609 | 0.80 | CXCR3 (0.37) | CXCR3ALDH1A1CYP3A4MAPK1TBXA2R | |
| SCHEMBL4675557 | 0.79 | CXCR3 (0.35) | CXCR3ALDH1A1CYP3A4MAPK1TBXA2R | |
| SCHEMBL4675369 | 0.77 | CXCR3 (0.36) | CXCR3ALDH1A1CYP3A4MAPK1TBXA2R | |
| SCHEMBL4676471 | 0.76 | CXCR3 (0.35) | CXCR3ALDH1A1CYP3A4MAPK1TBXA2R | |
| SCHEMBL4672179 | 0.76 | LOX (0.37) | CXCR3ALDH1A1CYP3A4MAPK1 | |
| SCHEMBL4672021 | 0.76 | CXCR3 (0.35) | CXCR3ALDH1A1CYP3A4MAPK1TBXA2R |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-20040002485-A1 | Heteroaromatic derivatives having an inhibitory activity against HIV integrase | FUJISHITA TOSHIO (JP) | 2004-01-01 | — | — | 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 (1 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 | CXCR3 1130/4885ALDH1A1 980/4885CYP3A4 4/4885 |
“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.