Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 7/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | GBA1 | P04062 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9284721 | 0.85 | CYP3A4 (0.41) | CYP3A4CYP1A2CYP2C9CYP2C19HRH1 | |
| SCHEMBL9288362 | 0.80 | CYP3A4 (0.54) | CYP3A4CHRNA7TDP1 | |
| SCHEMBL10620529 | 0.75 | ESR1 (0.47) | TAAR1ESR1KMT2AMAPTKCNH2 | |
| SCHEMBL9289135 | 0.74 | TAAR1 (0.56) | CYP2D6TAAR1ESR1MAPT | |
| SCHEMBL9288638 | 0.73 | HRH4 (0.35) | TAAR1ESR1KMT2AMAPTTDP1 | |
| SCHEMBL9284933 | 0.73 | ESR1 (0.35) | CYP3A4HRH1CYP2D6ESR1KMT2A | |
| SCHEMBL9288600 | 0.72 | MAPT (0.44) | CYP3A4CYP1A2CYP2D6ESR1KMT2A | |
| SCHEMBL9288445 | 0.70 | MAPT (0.40) | CYP3A4CYP1A2KMT2AMAPT | |
| SCHEMBL9286434 | 0.68 | MAPT (0.40) | ESR1MAPT | |
| SCHEMBL9288389 | 0.68 | CYP2D6 (0.43) | CYP1A2CYP2C9HRH1CYP2D6TAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012075232-A1 | OPIOID RECEPTOR LIGANDS AND METHODS OF USING AND MAKING THE SAME | TREVENA, INC. (US) | 2012-06-07 | — | — | WO | disclosed |