Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | MC4R | P32245 | 1/20 | 0.50 |
| ▸ | LTA4H | P09960 | 6/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.46 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL20191913 | 0.84 | CYP2D6 (0.79) | CYP2D6CYP1A2CYP3A4CYP2C19TSHR | |
| SCHEMBL1406105 | 0.84 | CYP2D6 (0.79) | CYP2D6CYP1A2CYP3A4CYP2C19TSHR | |
| SCHEMBL2631769 | 0.84 | CYP2D6 (0.79) | CYP2D6CYP1A2CYP3A4CYP2C19TSHR | |
| Hydrochloric Acid SCHEMBL10551490 | 0.82 | CYP2D6 (0.76) | CYP2D6CYP1A2CYP3A4CYP2C19TSHR | |
| Bromide SCHEMBL28217352 | 0.82 | CYP2D6 (0.76) | CYP2D6CYP1A2CYP3A4CYP2C19TSHR | |
| SCHEMBL8983562 | 0.82 | CYP2D6 (0.83) | CYP2D6CYP1A2CYP3A4CYP2C19TSHR | |
| SCHEMBL8983627 | 0.82 | CYP2D6 (0.83) | CYP2D6CYP1A2CYP3A4CYP2C19TSHR | |
| SCHEMBL7097730 | 0.82 | CYP2D6 (0.83) | CYP2D6CYP1A2CYP3A4CYP2C19TSHR | |
| SCHEMBL12845564 | 0.79 | CYP2D6 (0.48) | CYP2D6TSHRMC4RLTA4HKMT2A | |
| SCHEMBL2236588 | 0.78 | NCF1 (0.54) | CYP2D6CYP3A4MC4RLTA4HCHRM2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5457115-A | Treating anxiety, depression, sleep disorders, migranes, schizophrenia or Parkinson's disease in humans | H. LUNDBECK A/S (DK) | 1995-10-10 | — | — | US | disclosed |
| US-5322851-A | Indole derivatives | H. LUNDBECK A/S (DK) | 1994-06-21 | — | — | US | disclosed |
| US-5216001-A | Central nervous system disorders | H. LUNBECK A/S (DK) | 1993-06-01 | — | — | US | disclosed |
| EP-0465398-A2 | Novel indole derivatives | H. LUNDBECK A/S (DK) | 1992-01-08 | — | — | EP | disclosed |