Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 8/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7683946 | 0.89 | KDM4E (0.43) | CYP1A2CYP2C19MAPTCA12CA9 | |
| SCHEMBL7931529 | 0.86 | MAPT (0.46) | MAPTALDH1A1MAPK1GAAHPGD | |
| SCHEMBL3499129 | 0.86 | MCL1 (0.40) | POLBCYP1A2MAPTALDH1A1GAA | |
| SCHEMBL5206762 | 0.82 | NPC1 (0.43) | POLBMAPTHSD17B10ALDH1A1TSHR | |
| SCHEMBL7685365 | 0.82 | MRGPRX4 (0.41) | POLBMAPTHSD17B10ALDH1A1MEN1 | |
| SCHEMBL5211708 | 0.81 | KDM4E (0.39) | MAPTHSD17B10ALDH1A1CA12CA9 | |
| SCHEMBL7221367 | 0.81 | CA12 (0.50) | CYP1A2CYP2C19MAPTALDH1A1TSHR | |
| SCHEMBL7684813 | 0.80 | CCR5 (0.53) | CCR5 | |
| SCHEMBL7251900 | 0.80 | CA12 (0.46) | POLBCYP1A2CYP2C19MAPTHSD17B10 | |
| SCHEMBL7252062 | 0.79 | TLR8 (0.40) | MAPTALDH1A1MAPK1GAAHPGD |
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 |