Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | AGXT | P21549 | 2/20 | 0.36 |
| ▸ | NQO1 | P15559 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 4/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | RXRB | P28702 | 1/20 | 0.33 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7928439 | 0.90 | TDP1 (0.37) | IDO1AGXTNQO1CA1CA2 | |
| SCHEMBL7928362 | 0.84 | CA1 (0.37) | IDO1AGXTNQO1CA1CA2 | |
| SCHEMBL133476 | 0.82 | TSHR (0.48) | IDO1AGXTNQO1CA1CA2 | |
| SCHEMBL2618879 | 0.78 | IDO1 (0.59) | IDO1AGXTCA1CA2TSHR | |
| SCHEMBL5309551 | 0.78 | NQO1 (0.64) | NQO1CA1CA2TSHRAPP | |
| SCHEMBL7931543 | 0.78 | IDO1 (0.43) | IDO1AGXTAPPRAB9ANPC1 | |
| SCHEMBL5206771 | 0.78 | LPL (0.44) | RAB9AL3MBTL1NPC1TDP1ALDH1A1 | |
| SCHEMBL7929631 | 0.77 | TDP1 (0.40) | RAB9AL3MBTL1TDP1ALDH1A1SMN1; SMN2 | |
| SCHEMBL7928441 | 0.76 | TDP1 (0.36) | CA1CA2APPRAB9AL3MBTL1 | |
| SCHEMBL8750395 | 0.75 | TP53 (0.43) | CA2TSHRL3MBTL1TDP1ALDH1A1 |
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 |