Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 15/20 | 0.55 |
| ▸ | HTR2C | P28335 | 15/20 | 0.55 |
| ▸ | HTR2B | P41595 | 15/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4475182 | 0.85 | HTR2A (0.63) | HTR2AHTR2CHTR2BCYP3A4 | |
| SCHEMBL5576788 | 0.74 | HTR2A (0.46) | HTR2AHTR2CHTR2BKDM4EALDH1A1 | |
| SCHEMBL4482420 | 0.74 | HTR2A (0.42) | HTR2AHTR2CHTR2BKDM4E | |
| SCHEMBL4462114 | 0.74 | HTR2A (0.42) | HTR2AHTR2CHTR2BKDM4E | |
| SCHEMBL4468755 | 0.73 | HTR2A (0.54) | HTR2AHTR2CHTR2BKDM4EALDH1A1 | |
| SCHEMBL4475452 | 0.73 | HTR2A (0.41) | HTR2AHTR2CHTR2BKDM4EALDH1A1 | |
| SCHEMBL4467916 | 0.72 | PDE4B (0.42) | HTR2AHTR2CHTR2BKDM4E | |
| SCHEMBL13756894 | 0.72 | HTR2A (1.00) | HTR2AHTR2CHTR2BCYP3A4 | |
| SCHEMBL4461280 | 0.71 | HTR2A (0.45) | HTR2AHTR2CHTR2BCYP3A4 | |
| Hydrochloric Acid SCHEMBL4479020 | 0.71 | HTR2A (1.00) | HTR2AHTR2CHTR2BCYP3A4 |
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-1778225-A2 | PYRROLO(OXO)ISOQUINOLINES AS 5HT LIGANDS | Bristol-Myers Squibb Company (US) | 2007-05-02 | — | — | EP | disclosed |
| WO-2006019886-A2 | PYRROLO(OXO)ISOQUINOLINES AS 5HT LIGANDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-02-23 | — | — | WO | disclosed |