Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RYR2 | Q92736 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 3/20 | 0.36 |
| ▸ | MAOB | P27338 | 3/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8530034 | 0.77 | ALDH1A1 (0.52) | RYR2CA12CA9ACHEALDH1A1 | |
| SCHEMBL9710299 | 0.75 | AURKA (0.40) | MAOAMAOBEPHX2ALDH1A1HSD17B3 | |
| SCHEMBL9710025 | 0.75 | PARP1 (0.39) | MAOAMAOBEPHX2ALDH1A1HSD17B3 | |
| SCHEMBL29673299 | 0.75 | CMA1 (0.45) | MAOAMAOBEPHX2HSD17B3CYP11B1 | |
| SCHEMBL7555405 | 0.73 | RYR2 (0.43) | RYR2CA12CA9ALDH1A1GAA | |
| SCHEMBL7556098 | 0.73 | RYR2 (0.43) | RYR2CA12CA9ALDH1A1GAA | |
| SCHEMBL7555410 | 0.73 | RYR2 (0.43) | RYR2CA12CA9ALDH1A1GAA | |
| SCHEMBL7556100 | 0.73 | RYR2 (0.43) | RYR2CA12CA9ALDH1A1GAA | |
| SCHEMBL5144490 | 0.72 | CA12 (0.45) | RYR2CA12CA9ALDH1A1GAA | |
| SCHEMBL30569562 | 0.72 | HTT (0.56) | CA12CA9MAOAMAOBEPHX2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022057142-A1 | STEROID SYNTHETASE INHIBITORS AND THERAPEUTIC USE THEREOF | 广州中医药大学(广州中医药研究院) | 2022-03-24 | — | — | WO | claimed |
| WO-1992021668-A1 | BENZOTHIAZEPINONES AND THEIR USE AS ANTICONVULSANTS | THE BOOTS COMPANY PLC (GB) | 1992-12-10 | — | — | WO | claimed |
| WO-2022057142-A1 | STEROID SYNTHETASE INHIBITORS AND THERAPEUTIC USE THEREOF | 广州中医药大学(广州中医药研究院) | 2022-03-24 | — | — | WO | disclosed |
| EP-0667866-B1 | 1,4-BENZOTHIAZEPINES USEFUL AS NEUROLOGICAL AGENTS | KNOLL AG (DE) | 1998-03-11 | — | — | EP | disclosed |
| US-5580866-A | Therapeutic 1,4-thiazepines | THE BOOTS COMPANY PLC (GB) | 1996-12-03 | — | — | US | disclosed |
| EP-0667866-A1 | 1,4-BENZOTHIAZEPINES USEFUL AS NEUROLOGICAL AGENTS | Knoll AG (DE) | 1995-08-23 | — | — | EP | disclosed |
| WO-1994011360-A1 | 1,4-BENZOTHIAZEPINES USEFUL AS NEUROLOGICAL AGENTS | THE BOOTS COMPANY PLC (GB) | 1994-05-26 | — | — | WO | disclosed |
| WO-1992021668-A1 | BENZOTHIAZEPINONES AND THEIR USE AS ANTICONVULSANTS | THE BOOTS COMPANY PLC (GB) | 1992-12-10 | — | — | WO | disclosed |