Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | PARP1 | P09874 | 4/20 | 0.51 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.51 |
| ▸ | P2RY14 | Q15391 | 7/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 2/20 | 0.45 |
| ▸ | QDPR | P09417 | 1/20 | 0.45 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.44 |
| ▸ | PDE2A | O00408 | 1/20 | 0.44 |
| ▸ | PDE5A | O76074 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | INSR | P06213 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
| ▸ | DRD5 | P21918 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28051650 | 0.98 | PARP1 (0.50) | CYP2C9PARP1PARP2P2RY14SIGMAR1 | |
| SCHEMBL1758181 | 0.95 | CYP2C9 (0.55) | CYP2C9PARP1PARP2SIGMAR1SLC18A3 | |
| Hydrochloric Acid SCHEMBL3630728 | 0.93 | CYP2C9 (0.54) | CYP2C9PARP1PARP2SIGMAR1SLC18A3 | |
| Hydrochloric Acid SCHEMBL28051652 | 0.89 | PARP1 (0.52) | PARP1PARP2 | |
| SCHEMBL12607512 | 0.85 | HTR2C (0.48) | PARP1PARP2P2RY14SIGMAR1SLC18A3 | |
| SCHEMBL12505084 | 0.85 | HTR3A (0.56) | PARP1 | |
| Trifluoroacetic Acid SCHEMBL6703422 | 0.84 | HTR2C (0.51) | CYP2C9PARP1PARP2P2RY14SIGMAR1 | |
| Hydrochloric Acid SCHEMBL1790636 | 0.84 | HTR2C (0.49) | PARP1PARP2P2RY14SIGMAR1SLC18A3 | |
| Hydrochloric Acid SCHEMBL4200472 | 0.83 | HTR3A (0.54) | PARP1 | |
| Hydrochloric Acid SCHEMBL4200477 | 0.83 | HTR3A (0.54) | PARP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105254623-A | SUBSTITUTED BENZAMIDES | HOFFMANN LA ROCHE | 2016-01-20 | — | — | CN | claimed |
| CN-105254623-A | SUBSTITUTED BENZAMIDES | HOFFMANN LA ROCHE | 2016-01-20 | — | — | CN | disclosed |