Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | STAT1 | P42224 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.33 |
| ▸ | SOAT1 | P35610 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11298881 | 0.79 | CDK2 (0.40) | HRH4HRH3SIGMAR1NPC1ALDH1A1 | |
| SCHEMBL9540291 | 0.73 | HRH4 (0.38) | HRH4HRH3SIGMAR1ALDH1A1SMN1; SMN2 | |
| SCHEMBL9540304 | 0.69 | S1PR2 (0.37) | NPC1ALDH1A1MAPTSTAT1RAB9A | |
| SCHEMBL11024459 | 0.65 | CCKAR (0.39) | HRH4HRH3SIGMAR1NPC1ALDH1A1 | |
| Biphenyl SCHEMBL22832517 | 0.64 | SIGMAR1 (0.66) | HRH4HRH3SIGMAR1ALDH1A1SOAT1 | |
| Biphenyl SCHEMBL5716029 | 0.64 | SIGMAR1 (0.66) | HRH4HRH3SIGMAR1ALDH1A1SOAT1 | |
| SCHEMBL18095847 | 0.64 | HRH4 (0.43) | HRH4HRH3SIGMAR1CYP2D6SOAT1 | |
| SCHEMBL28958745 | 0.63 | HPGD (0.56) | HRH4HRH3SIGMAR1NPC1ALDH1A1 | |
| SCHEMBL12595626 | 0.63 | GAA (0.36) | MAPT | |
| SCHEMBL538475 | 0.63 | MAOA (0.76) | HRH4HRH3SIGMAR1MAPTSMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0054839-B1 | 2-ACYLAMINOMETHYL-1,4-BENZODIAZEPINES AND THEIR SALTS, METHODS OF PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Kali-Chemie Pharma GmbH (DE) | 1985-06-19 | — | — | EP | disclosed |