Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.52 |
| ▸ | CA1 | P00915 | 5/20 | 0.52 |
| ▸ | CA9 | Q16790 | 5/20 | 0.52 |
| ▸ | CA6 | P23280 | 3/20 | 0.52 |
| ▸ | CA7 | P43166 | 3/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.52 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | CA5A | P35218 | 2/20 | 0.52 |
| ▸ | CA4 | P22748 | 2/20 | 0.49 |
| ▸ | CA3 | P07451 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3794160 | 0.91 | CA12 (0.62) | CA12CA1CA9CA6CA7 | |
| SCHEMBL7928373 | 0.88 | CHRNB4 (0.51) | CA12CA1CA9CA6CA7 | |
| SCHEMBL1602196 | 0.87 | CA12 (0.62) | CA12CA1CA9CA6CA7 | |
| SCHEMBL28614915 | 0.82 | CA12 (0.56) | CA12CA1CA9CA6CA7 | |
| SCHEMBL827318 | 0.80 | CA12 (0.60) | CA12CA1CA9CA6CA7 | |
| SCHEMBL3541660 | 0.78 | CHRNB4 (0.56) | CA12CA1CA9CA6CA7 | |
| SCHEMBL30506048 | 0.78 | CA12 (0.62) | CA12CA1CA9CA6CA7 | |
| SCHEMBL29002643 | 0.78 | CA12 (0.62) | CA12CA1CA9CA6CA7 | |
| SCHEMBL14359475 | 0.78 | KCNA3 (0.48) | CA12CA1CA9CA6CA7 | |
| SCHEMBL13196822 | 0.76 | KDM4E (0.82) | KDM4EMAPK1TDP1NPC1MAPT |
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 |