Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | AR | P10275 | 2/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | THRA | P10827 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | RYR2 | Q92736 | 2/20 | 0.36 |
| ▸ | XDH | P47989 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7934093 | 0.95 | THRA (0.43) | MAOAMAOBARMTNR1AMTNR1B | |
| SCHEMBL7928528 | 0.93 | THRB (0.46) | MAOAMAOBMTNR1AMTNR1BTHRA | |
| SCHEMBL7928451 | 0.89 | CA12 (0.43) | MAOAMAOBARMTNR1AMTNR1B | |
| SCHEMBL7922025 | 0.86 | MAOA (0.47) | MAOAMAOBARMTNR1AMTNR1B | |
| SCHEMBL7931590 | 0.83 | CYP1A2 (0.39) | MAOAMAOBMTNR1AMTNR1BMAPT | |
| SCHEMBL3600977 | 0.82 | SLC6A4 (0.40) | MAOAMTNR1AMTNR1BNPC1RAB9A | |
| SCHEMBL7934090 | 0.81 | MAOA (0.42) | MAOAMAOBARMTNR1AMTNR1B | |
| SCHEMBL2772370 | 0.80 | LTA4H (0.55) | CYP3A4LTA4HNR5A1CYP1A2CYP2D6 | |
| SCHEMBL7928525 | 0.79 | THRB (0.44) | MAOAMAOBARTHRATHRB | |
| SCHEMBL5887468 | 0.79 | MAOA (0.62) | MAOAMAOBARTHRATHRB |
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 |