Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 2/20 | 0.45 |
| ▸ | MAOB | P27338 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.44 |
| ▸ | AR | P10275 | 2/20 | 0.44 |
| ▸ | XDH | P47989 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4456952 | 0.92 | HPGD (0.56) | HPGDALDH1A1MAOAMAOBNPC1 | |
| SCHEMBL27404855 | 0.90 | ALDH1A1 (0.62) | HPGDALDH1A1SMN1; SMN2AR | |
| SCHEMBL13851936 | 0.89 | ALDH1A1 (0.64) | HPGDALDH1A1SMN1; SMN2AR | |
| SCHEMBL2465179 | 0.89 | ALDH1A1 (0.64) | HPGDALDH1A1SMN1; SMN2AR | |
| SCHEMBL2469582 | 0.89 | ALDH1A1 (0.64) | HPGDALDH1A1SMN1; SMN2AR | |
| SCHEMBL392560 | 0.86 | MAOB (0.47) | HPGDALDH1A1MAOAMAOBLMNA | |
| SCHEMBL19648612 | 0.86 | MAOB (0.46) | HPGDALDH1A1MAOAMAOBKDM4E | |
| SCHEMBL430108 | 0.85 | EGFR (0.47) | HPGDALDH1A1MAOAMAOBKDM4E | |
| Hydrochloric Acid SCHEMBL27743340 | 0.85 | MAOB (0.46) | HPGDALDH1A1MAOAMAOBLMNA | |
| SCHEMBL14820084 | 0.83 | MAOB (0.45) | HPGDALDH1A1MAOAMAOBKDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8871777-B2 | Phenylpyrimidone compounds, the pharmaceutical compositions, preparation methods and uses thereof | TOPHARMAN SHANGHAI CO., LTD. (CN) | 2014-10-28 | — | — | US | disclosed |
| EP-1140896-A1 | BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 | Takeda Chemical Industries, Ltd. (JP) | 2001-10-10 | — | — | EP | disclosed |
| US-6235771-B1 | AIDS THERPAY | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-05-22 | — | — | US | disclosed |
| WO-2000037455-A1 | BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-06-29 | — | — | WO | disclosed |