Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.54 |
| ▸ | NR1I2 | O75469 | 3/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.54 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.54 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | PGR | P06401 | 1/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.54 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.54 |
| ▸ | DRD3 | P35462 | 1/20 | 0.54 |
| ▸ | CACNA1B | Q00975 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9872624 | 1.00 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19NR1I2ADORA3 | |
| SCHEMBL10495671 | 0.88 | ADORA3 (0.55) | CYP3A4CYP2C9CYP2C19NR1I2ADORA3 | |
| SCHEMBL10495662 | 0.88 | ADORA3 (0.55) | CYP3A4CYP2C9CYP2C19NR1I2ADORA3 | |
| SCHEMBL9871535 | 0.86 | ADORA3 (0.57) | CYP3A4CYP2C9CYP2C19NR1I2ADORA3 | |
| SCHEMBL9871528 | 0.86 | ADORA3 (0.57) | CYP3A4CYP2C9CYP2C19NR1I2ADORA3 | |
| SCHEMBL9873204 | 0.85 | LMNA (0.57) | CYP3A4CYP2C9CYP2C19NR1I2ADORA3 | |
| SCHEMBL9873200 | 0.85 | LMNA (0.57) | CYP3A4CYP2C9CYP2C19NR1I2ADORA3 | |
| SCHEMBL9871869 | 0.84 | ADORA3 (0.67) | CYP3A4CYP2C9CYP2C19NR1I2ADORA3 | |
| SCHEMBL9871872 | 0.84 | ADORA3 (0.67) | CYP3A4CYP2C9CYP2C19NR1I2ADORA3 | |
| SCHEMBL8595272 | 0.83 | HTT (0.53) | CYP3A4CYP2C9CYP2C19NR1I2ADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| US-5011848-A | Cardiovascular disorders, hypotensive agents | GLAXO, S.P.A. (IT) | 1991-04-30 | — | — | US | disclosed |
| US-4801599-A | CARDIOVASCULAR DISORDERS, HYPOTENSIVE AGENTS | GLAXO S.P.A. (IT) | 1989-01-31 | — | — | US | disclosed |