Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.44 |
| ▸ | AHR | P35869 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | KMO | O15229 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 3/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 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 | |
|---|---|---|---|---|
| SCHEMBL2087980 | 0.81 | HSP90AA1 (0.48) | HSP90AA1SLC6A4SLC6A2SLC6A3AHR | |
| SCHEMBL28006279 | 0.79 | HSP90AA1 (0.47) | HSP90AA1SLC6A4SLC6A2SLC6A3AHR | |
| SCHEMBL5372307 | 0.79 | PNMT (0.39) | HSP90AA1SLC6A4SLC6A2SLC6A3MEN1 | |
| SCHEMBL21820786 | 0.76 | HSP90AA1 (0.71) | HSP90AA1SLC6A4SLC6A2SLC6A3AHR | |
| SCHEMBL7934182 | 0.72 | MAPT (0.46) | TP53MEN1KMT2ATSHRSMN1; SMN2 | |
| SCHEMBL10915696 | 0.72 | HSP90AA1 (0.48) | HSP90AA1SLC6A4SLC6A2SLC6A3AHR | |
| SCHEMBL1145316 | 0.72 | SLC6A4 (0.54) | HSP90AA1SLC6A4SLC6A2SLC6A3HAO1 | |
| SCHEMBL29768449 | 0.72 | SLC6A4 (0.54) | HSP90AA1SLC6A4SLC6A2SLC6A3HAO1 | |
| SCHEMBL1145315 | 0.72 | HSP90AA1 (0.48) | HSP90AA1SLC6A4SLC6A2SLC6A3AHR | |
| SCHEMBL27709138 | 0.72 | HSP90AA1 (0.54) | HSP90AA1SLC6A4SLC6A2SLC6A3AHR |
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 |