Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 7/20 | 0.46 |
| ▸ | HTR2A | P28223 | 2/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.30 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.30 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.30 |
| ▸ | PDK4 | Q16654 | 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 | |
|---|---|---|---|---|
| SCHEMBL3136402 | 1.00 | HTR2C (0.46) | HTR2CHTR2AHTR2BAHRMAPT | |
| SCHEMBL3140452 | 1.00 | HTR2C (0.46) | HTR2CHTR2AHTR2BAHRMAPT | |
| SCHEMBL3137636 | 0.95 | HTR2C (0.44) | HTR2CHTR2AHTR2BAHRMAPT | |
| SCHEMBL13268809 | 0.95 | HTR2C (0.44) | HTR2CHTR2AHTR2BAHRMAPT | |
| SCHEMBL3127774 | 0.93 | HTR2C (0.40) | HTR2CHTR2AHTR2B | |
| SCHEMBL13270026 | 0.93 | HTR2C (0.40) | HTR2CHTR2AHTR2B | |
| SCHEMBL13270124 | 0.91 | HTR2C (0.43) | HTR2CHTR2AHTR2BAHRPDK1 | |
| SCHEMBL3138083 | 0.91 | HTR2C (0.43) | HTR2CHTR2AHTR2BAHRPDK1 | |
| SCHEMBL3127409 | 0.85 | PTPN11 (0.39) | HTR2CHTR2AHTR2B | |
| SCHEMBL13269964 | 0.85 | PTPN11 (0.39) | HTR2CHTR2AHTR2B |
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 |
|---|---|---|---|---|---|---|---|
| EP-1399445-B9 | SUBSTITUTED PYRROLOQUINOLINES AND PYRIDOQUINOLINES AS SEROTONIN AGONISTS AND ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2010-07-21 | — | — | EP | disclosed |
| EP-1399445-B1 | SUBSTITUTED PYRROLOQUINOLINES AND PYRIDOQUINOLINES AS SEROTONIN AGONISTS AND ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2009-08-05 | — | — | EP | disclosed |