Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | KMO | O15229 | 4/20 | 0.44 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7264080 | 0.88 | CYP1A2 (0.45) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL10640910 | 0.85 | ALDH1A1 (0.49) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL7272289 | 0.84 | MEN1 (0.52) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL7270056 | 0.83 | NPSR1 (0.46) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL10911592 | 0.81 | CES2 (0.45) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL10641538 | 0.80 | GPR139 (0.44) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL10638027 | 0.79 | MAPT (0.53) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL10641638 | 0.79 | RAB9A (0.54) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL10638143 | 0.79 | ADRB2 (0.51) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL7263517 | 0.78 | ADRB2 (0.53) | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0067770-A2 | Treatment of migraine with tropyl benzoate derivatives | MERRELL DOW FRANCE ET CIE (FR) | 1982-12-22 | — | — | EP | claimed |
| EP-0112266-B1 | SUBSTITUTED TROPYL AND PSEUDOTROPYL BENZOATES AND THEIR USE IN MIGRAINE TREATMENT | MERRELL DOW FRANCE ET CIE (FR) | 1988-03-09 | — | — | EP | disclosed |
| EP-0111607-B1 | TROPYL AND PSEUDOTROPYL ALKYL-BENZOATES AND THEIR USE IN MIGRAINE TREATMENT | MERRELL TORAUDE ET COMPAGNIE (FR) | 1986-05-21 | — | — | EP | disclosed |
| EP-0111607-A1 | Tropyl and pseudotropyl alkyl-benzoates and their use in migraine treatment | MERRELL TORAUDE ET COMPAGNIE (FR) | 1984-06-27 | — | — | EP | disclosed |
| EP-0112266-A2 | Substituted tropyl and pseudotropyl benzoates and their use in migraine treatment | MERRELL DOW FRANCE ET CIE (FR) | 1984-06-27 | — | — | EP | disclosed |