Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | AGXT | P21549 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RXRA | P19793 | 1/20 | 0.34 |
| ▸ | RXRB | P28702 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | NQO1 | P15559 | 1/20 | 0.33 |
| ▸ | LPL | P06858 | 1/20 | 0.32 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7928441 | 0.91 | TDP1 (0.36) | CA1CA2RAB9AALDH1A1NPC1 | |
| SCHEMBL7928359 | 0.84 | IDO1 (0.36) | CA1CA2IDO1AGXTRAB9A | |
| SCHEMBL6661512 | 0.83 | IDO1 (0.50) | CA1CA2IDO1AGXTRAB9A | |
| SCHEMBL4663332 | 0.81 | CA1 (0.38) | CA1CA2IDO1AGXTRAB9A | |
| SCHEMBL6662818 | 0.81 | TSHR (0.58) | CA1CA2RAB9ALMNAMAPT | |
| SCHEMBL7931547 | 0.80 | IDO1 (0.41) | CA1CA2IDO1AGXTRAB9A | |
| SCHEMBL2126535 | 0.79 | LPL (0.52) | RAB9AALDH1A1NPC1RXRARXRB | |
| SCHEMBL7216080 | 0.79 | SMN1; SMN2 (0.40) | CA1CA2RAB9AALDH1A1LMNA | |
| SCHEMBL133476 | 0.78 | TSHR (0.48) | CA1CA2IDO1AGXTNQO1 | |
| SCHEMBL761972 | 0.76 | LPL (0.55) | CA1CA2ALDH1A1PPARALMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108419435-A | Compound and epigenetics for treating cancer | 新加坡科技研究局 | 2018-08-17 | — | — | CN | disclosed |
| 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 |