Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 6/20 | 0.56 |
| ▸ | CA12 | O43570 | 5/20 | 0.56 |
| ▸ | CA1 | P00915 | 5/20 | 0.56 |
| ▸ | CA6 | P23280 | 3/20 | 0.56 |
| ▸ | CA7 | P43166 | 3/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.56 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.56 |
| ▸ | CA2 | P00918 | 2/20 | 0.56 |
| ▸ | CA5A | P35218 | 2/20 | 0.56 |
| ▸ | CA4 | P22748 | 2/20 | 0.49 |
| ▸ | CA3 | P07451 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | GLA | P06280 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7928459 | 0.92 | CA9 (0.48) | CA9CA12CA1CA6CA7 | |
| SCHEMBL7931672 | 0.89 | MAOB (0.46) | CA9CA12CA1CA6CA7 | |
| SCHEMBL7929599 | 0.89 | CA9 (0.58) | CA9CA12CA1CA6CA7 | |
| SCHEMBL7931713 | 0.82 | CA9 (0.38) | CA9CA12CA1CA6CA7 | |
| SCHEMBL7929537 | 0.82 | MAOB (0.41) | CA9CA12CA1CA6CA7 | |
| SCHEMBL28632856 | 0.80 | CA9 (0.58) | CA9CA12CA1CA6CA7 | |
| SCHEMBL7931669 | 0.77 | MAOB (0.48) | CA9CA12CA1CA6CA7 | |
| SCHEMBL1602863 | 0.74 | CA12 (0.58) | CA9CA12CA1CA6CA7 | |
| SCHEMBL18591922 | 0.73 | CA9 (0.61) | CA9CA12CA1CA6CA7 | |
| SCHEMBL30402849 | 0.72 | KDM4E (0.35) | CA9CA12CA1CA6CA7 |
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 |