Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | ACP3 | P15309 | 1/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | ADRA1B | P35368 | 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 | |
|---|---|---|---|---|
| SCHEMBL31738884 | 0.88 | CYP2C19 (0.54) | TDP1CYP2C19CYP1A2CYP2C9CYP3A4 | |
| SCHEMBL147085 | 0.88 | CYP2C19 (0.54) | TDP1CYP2C19CYP1A2CYP2C9CYP3A4 | |
| SCHEMBL7918865 | 0.86 | CYP2C19 (0.52) | TDP1CYP2C19CYP1A2CYP2C9CYP3A4 | |
| Hydrogen Sulfide SCHEMBL28838423 | 0.86 | CYP2C19 (0.52) | TDP1CYP2C19CYP1A2CYP2C9CYP3A4 | |
| SCHEMBL7918863 | 0.86 | CYP2C19 (0.52) | TDP1CYP2C19CYP1A2CYP2C9CYP3A4 | |
| SCHEMBL7624046 | 0.85 | SIGMAR1 (0.48) | TDP1CYP2C19CYP1A2CYP2C9CYP3A4 | |
| Methane SCHEMBL27919160 | 0.84 | CYP2C19 (0.50) | TDP1CYP2C19CYP1A2CYP2C9CYP3A4 | |
| SCHEMBL22146919 | 0.84 | CA12 (0.40) | CYP2C19CYP1A2CYP11B1CYP11B2CYP2D6 | |
| Dimethylamine SCHEMBL11571354 | 0.82 | CYP2C19 (0.50) | TDP1CYP2C19CYP1A2CYP2C9CYP3A4 | |
| Formaldehyde SCHEMBL27716206 | 0.82 | TDP1 (0.53) | TDP1CYP2C19CYP1A2CYP2C9ACP3 |
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-110650954-A | Anticancer compounds | 法马马有限公司 | 2020-01-03 | — | — | CN | disclosed |
| US-5508273-A | ARALKYLPHOSPHONATES FOR OSTEOPOROSIS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1996-04-16 | — | — | US | disclosed |