Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.45 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.45 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.45 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.45 |
| ▸ | RARG | P13631 | 1/20 | 0.45 |
| ▸ | CNR1 | P21554 | 1/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.45 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.45 |
| ▸ | PPARA | Q07869 | 1/20 | 0.45 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.45 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.45 |
| ▸ | MME | P08473 | 10/20 | 0.42 |
| ▸ | ACE | P12821 | 6/20 | 0.42 |
| ▸ | MMEL1 | Q495T6 | 2/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8861686 | 1.00 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8861622 | 0.88 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8861657 | 0.88 | PPARA (0.45) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8861596 | 0.88 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8861593 | 0.86 | CYP2C9 (0.44) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8861636 | 0.85 | CYP1A2 (0.40) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8861589 | 0.85 | CYP1A2 (0.41) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8861602 | 0.83 | CYP2D6 (0.42) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8861564 | 0.83 | HRH4 (0.39) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8861644 | 0.82 | HRH4 (0.59) | CYP3A4CYP2D6MMEACE |
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 |
|---|---|---|---|---|---|---|---|
| US-5599951-A | ENZYME INHIBITORS | SOCIETE CIVILE BIOPROJET (FR) | 1997-02-04 | — | — | US | disclosed |