Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 6/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.58 |
| ▸ | KDM4A | O75164 | 1/20 | 0.47 |
| ▸ | ACACB | O00763 | 1/20 | 0.47 |
| ▸ | CTSB | P07858 | 1/20 | 0.47 |
| ▸ | CTSS | P25774 | 1/20 | 0.47 |
| ▸ | CTSK | P43235 | 1/20 | 0.47 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.45 |
| ▸ | SYK | P43405 | 1/20 | 0.44 |
| ▸ | NQO2 | P16083 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5676055 | 0.88 | AKR1C3 (0.45) | CYP2D6MEN1CYP1A2TSHRKMT2A | |
| SCHEMBL25496775 | 0.86 | HDAC1 (0.51) | CYP2D6MEN1CYP1A2TSHRKMT2A | |
| SCHEMBL9526163 | 0.86 | ATM (0.56) | CYP2D6MEN1CYP1A2TSHRKMT2A | |
| SCHEMBL28136984 | 0.86 | KDM4A (0.46) | CYP2D6MEN1CYP1A2TSHRKMT2A | |
| SCHEMBL28395771 | 0.85 | CTSB (0.47) | CYP2D6MEN1CYP1A2TSHRKMT2A | |
| SCHEMBL4367316 | 0.85 | CTSB (0.47) | CYP2D6MEN1CYP1A2TSHRKMT2A | |
| SCHEMBL6167126 | 0.84 | KDM4A (0.44) | CYP2D6MEN1CYP1A2TSHRKMT2A | |
| SCHEMBL350453 | 0.83 | NPC1 (0.58) | CTSSCTSKAOC3SYKNPC1 | |
| SCHEMBL1624911 | 0.83 | NPC1 (0.58) | CTSSCTSKAOC3SYKNPC1 | |
| SCHEMBL7739354 | 0.83 | NPC1 (0.58) | CTSSCTSKAOC3SYKNPC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0365045-B1 | Perhydrothiazepine derivatives, their preparation and their therapeutic use | SANKYO CO (JP) | 1993-12-01 | — | — | EP | disclosed |
| EP-0365045-A1 | Perhydrothiazepine derivatives, their preparation and their therapeutic use | SANKYO COMPANY LIMITED (JP) | 1990-04-25 | — | — | EP | disclosed |
| US-4699905-A | HYPOTENSIVE AGENTS | SANKYO COMPANY, LIMITED (JP) | 1987-10-13 | — | — | US | disclosed |
| EP-0161801-A2 | Perhydrothiazepine derivatives, their preparation and their therapeutic use | SANKYO COMPANY LIMITED (JP) | 1985-11-21 | — | — | EP | disclosed |