Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.39 |
| ▸ | RAB9A | P51151 | 8/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NQO1 | P15559 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6343489 | 0.85 | NPC1 (0.37) | NPC1RAB9ASMN1; SMN2HPGDMAPT | |
| SCHEMBL13461862 | 0.79 | DRD2 (0.52) | NPC1RAB9ASMN1; SMN2MAPTL3MBTL1 | |
| SCHEMBL13059256 | 0.79 | NPC1 (0.58) | NPC1RAB9ASMN1; SMN2HPGDMAPT | |
| SCHEMBL7934205 | 0.78 | KDM4E (0.49) | NPC1RAB9ASMN1; SMN2HPGDMAPT | |
| SCHEMBL14167586 | 0.77 | CA2 (0.48) | NPC1RAB9ASMN1; SMN2HPGDMAPT | |
| SCHEMBL6339474 | 0.77 | LTA4H (0.53) | NPC1RAB9ASMN1; SMN2HPGDMAPT | |
| SCHEMBL11285757 | 0.77 | KCNA3 (0.58) | NPC1RAB9AL3MBTL1ALDH1A1LMNA | |
| SCHEMBL6397212 | 0.77 | LTA4H (0.55) | RAB9ATP53CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7934072 | 0.75 | KDM4E (0.43) | RAB9AMAPTL3MBTL1NQO1 | |
| SCHEMBL23267826 | 0.74 | MEN1 (0.50) | NPC1RAB9ASMN1; SMN2MEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |