Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1B | P28222 | 8/20 | 0.91 |
| ▸ | SETD2 | Q9BYW2 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.46 |
| ▸ | LCK | P06239 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 1/20 | 0.46 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.46 |
| ▸ | RHEB | Q15382 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL14263970 | 0.95 | HTR1B (1.00) | HTR1BSETD2NPC1RAB9AMAPT | |
| SCHEMBL14263971 | 0.92 | HTR1B (0.78) | HTR1BSETD2MAPTCYP2C19 | |
| SCHEMBL14437527 | 0.89 | HTR1B (0.74) | HTR1BSETD2NPC1RAB9APLA2G7 | |
| SCHEMBL14263965 | 0.84 | HTR1B (1.00) | HTR1BNPC1RAB9APLA2G7MAPT | |
| SCHEMBL14437530 | 0.84 | HTR1B (0.66) | HTR1BSETD2RAB9APLA2G7MAPT | |
| SCHEMBL14263964 | 0.81 | HTR1B (0.79) | HTR1BNPC1RAB9AMAPTHPGD | |
| SCHEMBL5352760 | 0.81 | HTR1B (1.00) | HTR1BNPC1RAB9A | |
| SCHEMBL4988305 | 0.81 | HTR1B (0.61) | HTR1B | |
| Hydrochloric Acid SCHEMBL4982786 | 0.80 | HTR1B (0.60) | HTR1B | |
| SCHEMBL14263955 | 0.78 | HTR1B (0.77) | HTR1BNPC1RAB9AMAP4K4TNIK |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007097697-A1 | THERAPEUTIC QUINOLINE COMPOUNDS THAT ARE 5HT1B MODULATORS | ASTRAZENECA AB (SE) | 2007-08-30 | — | — | WO | disclosed |