Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | PRKCA | P17252 | 3/20 | 0.43 |
| ▸ | PRKCD | Q05655 | 2/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | CASR | P41180 | 1/20 | 0.41 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.41 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10911592 | 0.89 | CES2 (0.45) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL7264094 | 0.89 | ALDH1A1 (0.47) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL10641638 | 0.84 | RAB9A (0.54) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL7263517 | 0.83 | ADRB2 (0.53) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL7272295 | 0.83 | KMT2A (0.49) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL7270056 | 0.83 | NPSR1 (0.46) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL10831891 | 0.83 | CYP1A2 (0.41) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL7264080 | 0.82 | CYP1A2 (0.45) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL7263518 | 0.81 | MAPK1 (0.51) | CYP2D6SMN1; SMN2NPSR1ALDH1A1KMT2A | |
| SCHEMBL10911054 | 0.81 | ADRB2 (0.52) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0067770-B1 | TREATMENT OF MIGRAINE WITH TROPYL BENZOATE DERIVATIVES | MERRELL DOW FRANCE ET CIE (FR) | 1992-01-15 | — | — | EP | claimed |
| US-4585866-A | Treatment of migraine with substituted tropyl benzoate derivatives | MERRELL DOW PHARMACEUTICALS INC. (US) | 1986-04-29 | — | — | US | claimed |
| EP-0067770-A2 | Treatment of migraine with tropyl benzoate derivatives | MERRELL DOW FRANCE ET CIE (FR) | 1982-12-22 | — | — | EP | claimed |