Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 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 | |
|---|---|---|---|---|
| SCHEMBL9496465 | 0.72 | — | — | |
| SCHEMBL3525406 | 0.70 | TSHR (0.34) | TSHRF2DAOGSK3B | |
| SCHEMBL3566978 | 0.65 | — | — | |
| SCHEMBL20302244 | 0.65 | — | — | |
| SCHEMBL25080938 | 0.63 | SMN1; SMN2 (0.39) | TSHR | |
| SCHEMBL25246892 | 0.60 | F2 (0.38) | TSHRF2DAOGSK3B | |
| SCHEMBL9193008 | 0.60 | CYP2A6 (0.50) | TSHRF2DAOGSK3B | |
| SCHEMBL25081002 | 0.59 | TDP1 (0.33) | — | |
| SCHEMBL9155 | 0.56 | — | — | |
| SCHEMBL31078352 | 0.56 | — | — |
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 |