Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | NPY1R | P25929 | 1/20 | 0.37 |
| ▸ | NPY2R | P49146 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | RAD52 | P43351 | 1/20 | 0.35 |
| ▸ | MC4R | P32245 | 2/20 | 0.32 |
| ▸ | PLK1 | P53350 | 2/20 | 0.31 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.31 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
| ▸ | CDK1 | P06493 | 1/20 | 0.30 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8081964 | 1.00 | CYP1A2 (0.41) | CYP1A2CYP2D6TSHRNPY1RNPY2R | |
| SCHEMBL8088062 | 1.00 | CYP1A2 (0.41) | CYP1A2CYP2D6TSHRNPY1RNPY2R | |
| Hydrochloric Acid SCHEMBL8083178 | 0.99 | CYP1A2 (0.40) | CYP1A2CYP2D6TSHRNPY1RNPY2R | |
| Hydrochloric Acid SCHEMBL8083177 | 0.99 | CYP1A2 (0.40) | CYP1A2CYP2D6TSHRNPY1RNPY2R | |
| SCHEMBL8039814 | 0.82 | MC4R (0.31) | TSHRNPY1RNPY2RMC4R | |
| SCHEMBL8074467 | 0.81 | CYP1A2 (0.36) | CYP1A2CYP2D6TSHRNPY1RNPY2R | |
| Hydrochloric Acid SCHEMBL8027825 | 0.81 | MC4R (0.30) | TSHRNPY1RNPY2RMC4R | |
| SCHEMBL8074402 | 0.81 | MCL1 (0.34) | MCL1 | |
| SCHEMBL8074499 | 0.81 | IDO1 (0.40) | TSHRMCL1 | |
| SCHEMBL8044549 | 0.81 | MCL1 (0.34) | MCL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6063810-A | ENANTIOMORPHS | SYNTHELABO (FR) | 2000-05-16 | — | — | US | disclosed |
| EP-0888324-A1 | 2-AMINOETHYL-BENZOFURAN DERIVATIVES, PREPARATION THEREOF AND THERAPEUTICAL USE THEREOF | SYNTHELABO (FR) | 1999-01-07 | — | — | EP | disclosed |
| WO-1997032870-A1 | 2-AMINOETHYL-BENZOFURAN DERIVATIVES, PREPARATION THEREOF AND THERAPEUTICAL USE THEREOF | SYNTHELABO (FR) | 1997-09-12 | — | — | WO | disclosed |