Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | THRA | P10827 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | PTGES | O14684 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PLK1 | P53350 | 3/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.37 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7928525 | 0.98 | THRB (0.44) | MAOAMAOBTHRATHRBSLC2A1 | |
| SCHEMBL7922025 | 0.95 | MAOA (0.47) | MAOAMAOBTHRATHRBSLC2A1 | |
| SCHEMBL7928447 | 0.87 | CA12 (0.46) | MAOAMAOBSLC2A1ARCYP1A2 | |
| SCHEMBL7934093 | 0.86 | THRA (0.43) | MAOAMAOBTHRATHRBSLC2A1 | |
| SCHEMBL7928528 | 0.85 | THRB (0.46) | MAOAMAOBTHRATHRBCYP1A2 | |
| SCHEMBL14838080 | 0.81 | PTGES (0.52) | MAOAMAOBTHRATHRBAR | |
| SCHEMBL7931588 | 0.81 | RAB9A (0.38) | MAOAMAOBCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7922029 | 0.81 | MAOA (0.45) | MAOAMAOBTHRATHRBSLC2A1 | |
| SCHEMBL11569857 | 0.80 | THRB (0.56) | MAOAMAOBTHRATHRBSLC2A1 | |
| SCHEMBL21575598 | 0.80 | THRB (0.56) | MAOAMAOBTHRATHRBSLC2A1 |
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 |