Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPID | Q08752 | 2/20 | 0.58 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.53 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.53 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.53 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.53 |
| ▸ | RARG | P13631 | 1/20 | 0.53 |
| ▸ | CNR1 | P21554 | 1/20 | 0.53 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.53 |
| ▸ | PPARA | Q07869 | 1/20 | 0.53 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.53 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.53 |
| ▸ | MMP8 | P22894 | 1/20 | 0.51 |
| ▸ | ALPI | P09923 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL11019745 | 0.99 | PPID (0.57) | PPIDOPRK1CYP1A2CYP3A4CYP2D6 | |
| Bromide SCHEMBL10788649 | 0.99 | PPID (0.57) | PPIDOPRK1CYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL10344243 | 0.99 | PPID (0.57) | PPIDOPRK1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29007088 | 0.95 | PPID (0.53) | PPIDOPRK1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29007089 | 0.95 | PPID (0.53) | PPIDOPRK1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL22539312 | 0.87 | CYP1A2 (0.64) | OPRK1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7635307 | 0.87 | SLC7A5 (0.53) | OPRK1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6162382 | 0.87 | SLC7A5 (0.53) | OPRK1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL31303644 | 0.87 | CYP3A4 (0.49) | PPIDOPRK1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL24754621 | 0.86 | PPID (0.47) | PPIDOPRK1CYP1A2CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012065102-A2 | S-T-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS | PROMENTIS PHARMACEUTICALS, INC. (US) | 2012-05-18 | — | — | WO | disclosed |
| US-3984417-A | Method of producing active amino acid esters | AJINOMOTO CO., INC. (JA) | 1976-10-05 | — | — | US | disclosed |
| US-3933783-A | Formation of peptide bonds in the presence of isonitriles | AJINOMOTO CO., INC. (JA) | 1976-01-20 | — | — | US | disclosed |