Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | MMP3 | P08254 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | MMP14 | P50281 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 4/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 3/20 | 0.31 |
| ▸ | LTA4H | P09960 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3589633 | 0.85 | NQO1 (0.50) | NQO1MMP2MMP3MMP9MMP14 | |
| SCHEMBL7931088 | 0.83 | NQO1 (0.36) | NQO1MMP2MMP3MMP9MMP14 | |
| SCHEMBL7934072 | 0.80 | KDM4E (0.43) | NQO1MAPTKDM4ERECQL | |
| SCHEMBL7922039 | 0.78 | KDM4E (0.39) | MAPTLTA4HKDM4ERECQL | |
| SCHEMBL12926336 | 0.78 | MMP2 (0.51) | NQO1MMP2MMP3MMP9MMP14 | |
| SCHEMBL197283 | 0.78 | FYN (0.45) | NQO1MMP2MMP3MMP9MMP14 | |
| SCHEMBL14514637 | 0.78 | CA1 (0.58) | TSHRTDP1CA12CA1CA2 | |
| SCHEMBL2131789 | 0.76 | ACHE (0.52) | NQO1MAPT | |
| SCHEMBL5209702 | 0.76 | NQO1 (0.70) | NQO1TSHRTDP1CA12CA1 | |
| SCHEMBL17066812 | 0.74 | NQO1 (0.40) | NQO1MMP2MMP3MMP9MMP14 |
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 |