Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | PKM | P14618 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8206367 | 0.85 | HSD11B1 (0.57) | ALDH1A1PKMPOLBHTTKMT2A | |
| SCHEMBL9208624 | 0.85 | PKM (0.46) | CYP2C19ALDH1A1PKMPOLBHTT | |
| SCHEMBL7407681 | 0.83 | CYP2C19 (0.56) | CYP2C19ALDH1A1PKMPOLBHTT | |
| SCHEMBL10905546 | 0.83 | ALDH1A1 (0.41) | CYP2C19ALDH1A1PKMPOLBHTT | |
| SCHEMBL18221902 | 0.77 | CYP2C19 (0.53) | CYP2C19ALDH1A1PKMPOLBHTT | |
| SCHEMBL9217072 | 0.77 | KMT2A (0.47) | CYP2C19ALDH1A1PKMPOLBHTT | |
| SCHEMBL7250447 | 0.77 | CYP2C19 (0.59) | CYP2C19ALDH1A1PKMPOLBHTT | |
| SCHEMBL18221869 | 0.76 | CYP2C19 (0.52) | CYP2C19ALDH1A1PKMPOLBHTT | |
| SCHEMBL11888884 | 0.74 | CYP2C19 (0.67) | CYP2C19ALDH1A1PKMPOLBHTT | |
| SCHEMBL8199043 | 0.73 | MMP1 (0.52) | ALDH1A1PKMPOLBHTTKMT2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0345808-B1 | 1-Indolylalkyl-4-(substituted-pyridinyl)piperazines | BRISTOL MYERS SQUIBB CO (US) | 1995-01-11 | — | — | EP | disclosed |
| EP-0400661-A1 | Agents for treatment of brain ischemia | Bristol-Myers Squibb Company (US) | 1990-12-05 | — | — | EP | disclosed |
| US-4954502-A | Antidepressants | BRISTOL-MYERS SQUIBB COMPANY (US) | 1990-09-04 | — | — | US | disclosed |
| EP-0345808-A1 | 1-Indolylalkyl-4-(substituted-pyridinyl)piperazines | Bristol-Myers Squibb Company (US) | 1989-12-13 | — | — | EP | disclosed |
| US-3951980-A | 3-Substituted-8-methyl-3,8-diazabicyclo[3.2.1]octanes | STANFORD RESEARCH INSTITUTE (US) | 1976-04-20 | — | — | US | disclosed |
| US-3947445-A | Diazabicyclooctanes and diazabicycloheptanes | STANFORD RESEARCH INSTITUTE (US) | 1976-03-30 | — | — | US | disclosed |