Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.46 |
| ▸ | IDO1 | P14902 | 2/20 | 0.46 |
| ▸ | AGXT | P21549 | 2/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CMA1 | P23946 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11092821 | 0.82 | IDO1 (0.41) | TAAR1IDO1AGXTAOC3MAOB | |
| SCHEMBL11084020 | 0.76 | IDO1 (0.48) | TAAR1IDO1AOC3ALDH1A1MEN1 | |
| SCHEMBL5222385 | 0.75 | TAAR1 (0.58) | TAAR1IDO1AGXTAOC3MAOB | |
| SCHEMBL11085187 | 0.75 | MAPK1 (0.46) | ALDH1A1CYP3A4MEN1KMT2AKDM4E | |
| SCHEMBL4658796 | 0.73 | TAAR1 (0.42) | TAAR1IDO1AGXTAOC3MAOB | |
| SCHEMBL22827424 | 0.73 | TAAR1 (0.55) | TAAR1IDO1AGXTAOC3MAOB | |
| SCHEMBL24177286 | 0.72 | TAAR1 (0.54) | TAAR1IDO1AGXTAOC3MAOB | |
| SCHEMBL22458119 | 0.72 | TAAR1 (0.54) | TAAR1IDO1AGXTAOC3MAOB | |
| SCHEMBL4874067 | 0.72 | TAAR1 (0.54) | TAAR1IDO1AGXTAOC3MAOB | |
| SCHEMBL6821384 | 0.71 | TAAR1 (0.43) | TAAR1IDO1AGXTAOC3MAOB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0046710-B1 | PREPARATION OF AMINOACETONITRILE DERIVATIVES | MERRELL TORAUDE ET COMPAGNIE (FR) | 1984-06-13 | — | — | EP | disclosed |
| US-4405530-A | Process for preparing fluorinated amino-nitriles | MERRELL TORAUDE ET COMPAGNIE (FR) | 1983-09-20 | — | — | US | disclosed |
| US-4342780-A | 2-AMINO-2-FLUOROMETHYL-3-(SUBSTITUTED) PHENYL PROPIONIC ACIDS AND DERIVATIVES COADMINISTERED WITH DOPAMINE | MERRELL-TORAUDE ET CIE (FR) | 1982-08-03 | — | — | US | disclosed |
| EP-0046710-A1 | Preparation of aminoacetonitrile derivatives | MERRELL TORAUDE ET COMPAGNIE (FR) | 1982-03-03 | — | — | EP | disclosed |