Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.46 |
| ▸ | HTR2A | P28223 | 2/20 | 0.46 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | GABBR2 | O75899 | 2/20 | 0.40 |
| ▸ | GABBR1 | Q9UBS5 | 2/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6983607 | 0.80 | OPRL1 (0.58) | CYP1A2CYP3A4CYP2D6TSHRCYP2C19 | |
| SCHEMBL8514562 | 0.80 | CYP1A2 (0.58) | TAAR1HTR2ARPS6KB1CYP1A2CYP3A4 | |
| SCHEMBL15017817 | 0.80 | CYP1A2 (0.62) | TAAR1HTR2ARPS6KB1CYP1A2CYP3A4 | |
| SCHEMBL468998 | 0.80 | CYP1A2 (0.62) | TAAR1HTR2ARPS6KB1CYP1A2CYP3A4 | |
| SCHEMBL6983605 | 0.80 | OPRL1 (0.58) | CYP1A2CYP3A4CYP2D6TSHRCYP2C19 | |
| Hydrochloric Acid SCHEMBL18641313 | 0.78 | CYP1A2 (0.61) | TAAR1HTR2ARPS6KB1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL3600790 | 0.78 | CYP1A2 (0.61) | TAAR1HTR2ARPS6KB1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL8535248 | 0.78 | CYP1A2 (0.56) | TAAR1HTR2ARPS6KB1CYP1A2CYP3A4 | |
| SCHEMBL3471627 | 0.78 | CYP1A2 (0.66) | TAAR1HTR2ARPS6KB1CYP1A2CYP3A4 | |
| SCHEMBL3637068 | 0.78 | CYP1A2 (0.66) | TAAR1HTR2ARPS6KB1CYP1A2CYP3A4 |
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-2002836-B1 | Cyclocondensed azaindoles active as kinase inhibitors | NERVIANO MEDICAL SCIENCES SRL (IT) | 2010-10-20 | — | — | EP | claimed |