Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 2/20 | 0.30 |
| ▸ | HTR2C | P28335 | 2/20 | 0.30 |
| ▸ | HTR2B | P41595 | 2/20 | 0.30 |
| ▸ | HRH1 | P35367 | 1/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.30 |
| ▸ | HTR6 | P50406 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 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 | |
|---|---|---|---|---|
| SCHEMBL24272357 | 0.80 | IDO1 (0.42) | IDO1TAAR1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL18658983 | 0.77 | TAAR1 (0.43) | TAAR1CYP2D6 | |
| SCHEMBL10711650 | 0.76 | PPARA (0.47) | IDO1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6683911 | 0.76 | GABRA1 (0.52) | IDO1TAAR1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL588658 | 0.75 | ALDH1A1 (0.40) | IDO1TAAR1TDP1ALDH1A1 | |
| SCHEMBL31230581 | 0.75 | HSPA5 (0.48) | IDO1TAAR1CYP2D6 | |
| SCHEMBL2478903 | 0.75 | IDO1 (0.45) | IDO1TAAR1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL1006209 | 0.72 | SLC6A2 (0.50) | IDO1TAAR1CYP1A2CYP2D6SIGMAR1 | |
| SCHEMBL19415512 | 0.72 | TAAR1 (0.43) | IDO1TAAR1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL853320 | 0.72 | TAAR1 (0.43) | IDO1TAAR1CYP1A2CYP2D6CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010012812-A1 | BENZAZEPINES AND BENZAZOCINES AS SIGMA-RECEPTOR LIGANDES | Westfälische Wilhelms Universität Münster (DE) | 2010-02-04 | — | — | WO | disclosed |
| WO-2010005766-A1 | USE OF PHARMACEUTICAL COMPOSITIONS COMPRISING A CASPASE INHIBITOR FOR TREATING INTERSTITIAL LUNG DISEASES | GILEAD SCIENCES, INC. (US) | 2010-01-14 | — | — | WO | disclosed |