Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RBP4 | P02753 | 9/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4472649 | 0.89 | PDE4B (0.48) | RBP4PDE4B | |
| SCHEMBL4472653 | 0.89 | PDE4B (0.48) | RBP4PDE4B | |
| SCHEMBL4470056 | 0.84 | F10 (0.41) | RBP4 | |
| SCHEMBL4470062 | 0.84 | F10 (0.41) | RBP4 | |
| SCHEMBL4475292 | 0.81 | RORC (0.42) | RBP4PDE4B | |
| SCHEMBL4475295 | 0.81 | RORC (0.42) | RBP4PDE4B | |
| SCHEMBL4473457 | 0.75 | MC4R (0.40) | RBP4TDP1KDM4EALDH1A1 | |
| SCHEMBL4461632 | 0.73 | TACR1 (0.45) | RBP4PDE4BTDP1HTTL3MBTL1 | |
| SCHEMBL4461637 | 0.73 | TACR1 (0.45) | RBP4PDE4BTDP1HTTL3MBTL1 | |
| SCHEMBL3378101 | 0.69 | PDE4B (0.48) | PDE4BSLC6A2SLC6A4SLC6A3 |
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 |