Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 9/20 | 0.40 |
| ▸ | LCK | P06239 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | BLM | P54132 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | APEX1 | P27695 | 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 | |
|---|---|---|---|---|
| SCHEMBL11327908 | 0.88 | TYR (0.43) | BLMMEN1KMT2AODC1ALOX5 | |
| SCHEMBL11327906 | 0.88 | TYR (0.43) | BLMMEN1KMT2AODC1ALOX5 | |
| SCHEMBL6714972 | 0.84 | EGFR (0.42) | EGFRLCKALDH1A1MAPTTDP1 | |
| SCHEMBL6714968 | 0.84 | EGFR (0.42) | EGFRLCKALDH1A1MAPTTDP1 | |
| SCHEMBL24253165 | 0.83 | CHRNA7 (0.41) | ALDH1A1BLMMEN1KMT2AODC1 | |
| SCHEMBL6799785 | 0.82 | EGFR (0.43) | EGFRLCKALDH1A1MAPTTDP1 | |
| SCHEMBL24253161 | 0.82 | BLM (0.40) | EGFRALDH1A1MAPTTDP1HPGD | |
| SCHEMBL6720237 | 0.81 | AKR1B1 (0.47) | MEN1KMT2ARECQLODC1CA12 | |
| SCHEMBL6811148 | 0.80 | ESR1 (0.46) | EGFRLCKALDH1A1MAPTTDP1 | |
| SCHEMBL23963121 | 0.78 | ODC1 (0.38) | EGFRALDH1A1MAPTTDP1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| 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 |