Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ACACA | Q13085 | 7/20 | 0.39 |
| ▸ | ERCC5 | P28715 | 2/20 | 0.39 |
| ▸ | FEN1 | P39748 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | RPS6KB2 | Q9UBS0 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27575912 | 0.83 | DPP4 (0.45) | HDAC1HDAC8MEN1POLBRAB9A | |
| SCHEMBL4673370 | 0.82 | ALOX5 (0.35) | CYP3A4CYP2C9CYP2C19HDAC1HDAC8 | |
| SCHEMBL27555756 | 0.82 | ERCC5 (0.35) | ERCC5FEN1HDAC1MEN1POLB | |
| SCHEMBL27555898 | 0.81 | ERCC5 (0.34) | ERCC5FEN1HDAC1MEN1POLB | |
| SCHEMBL4679953 | 0.80 | CYP2E1 (0.40) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL4675350 | 0.80 | KMT2A (0.33) | HDAC1HDAC8MEN1POLBKMT2A | |
| SCHEMBL4676095 | 0.79 | CYP11B1 (0.36) | RAB9ACYP11B1CYP11B2 | |
| SCHEMBL4674547 | 0.79 | LOX (0.49) | — | |
| SCHEMBL4673897 | 0.78 | RPS6KB2 (0.40) | ERCC5FEN1RPS6KB2 | |
| SCHEMBL4674021 | 0.77 | SMN1; SMN2 (0.36) | POLBRAB9A |
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 8 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-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 |
| US-20030171406-A1 | Medicinal compositions containing propenone derivatives | SHIONOGI & CO., LTD (JP) | 2003-09-11 | — | — | US | disclosed |
| EP-1295879-A1 | MEDICINAL COMPOSITIONS CONTAINING PROPENONE DERIVATIVES | SHIONOGI & CO., LTD. (JP) | 2003-03-26 | — | — | EP | 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 | CYP2E1 71/4885CYP3A4 4/4885CYP2A6 149/4885 |
| US-20030171406-A1 | Medicinal compositions containing propenone derivatives | RPL17, EBP, SERPINB1 | CYP2E1 1684/4885CYP3A4 1535/4885CYP2A6 1575/4885 |
“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.