Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 2/20 | 0.88 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.75 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.52 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.52 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.52 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.52 |
| ▸ | RARG | P13631 | 1/20 | 0.52 |
| ▸ | CNR1 | P21554 | 1/20 | 0.52 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.52 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.52 |
| ▸ | PPARA | Q07869 | 1/20 | 0.52 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.52 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Fasidotril SCHEMBL49006 | 1.00 | ACE (0.88) | ACEHRH4CYP3A4CYP1A2CYP2D6 | |
| Fasidotrilat SCHEMBL29595981 | 0.94 | ACE (1.00) | ACEHRH4CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL3081031 | 0.86 | ACE (0.66) | ACEHRH4CYP2D6TSHRALDH1A1 | |
| SCHEMBL3081041 | 0.86 | ACE (0.66) | ACEHRH4CYP2D6TSHRALDH1A1 | |
| SCHEMBL3081033 | 0.86 | ACE (0.66) | ACEHRH4CYP2D6TSHRALDH1A1 | |
| SCHEMBL8297852 | 0.83 | ACE (0.61) | ACEHRH4CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL5913510 | 0.78 | HRH4 (0.62) | ACEHRH4CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL5913277 | 0.78 | HRH4 (0.62) | ACEHRH4CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL8691873 | 0.78 | HRH4 (0.62) | ACEHRH4CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL8167846 | 0.77 | CYP1A2 (0.61) | ACECYP3A4CYP1A2CYP2D6CYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0729936-B1 | Process for the synthesis of alpha substituted acrylic acids and N-(mercaptoacyl)amino acids | BIOPROJET SOC CIV (FR) | 1999-07-07 | — | — | EP | claimed |