Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 10/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.49 |
| ▸ | PDE5A | O76074 | 6/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.49 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.49 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7272031 | 0.86 | PDE5A (0.54) | PDE5APDE3BPDE3AKDM4EALDH1A1 | |
| SCHEMBL7272060 | 0.85 | PDE5A (0.45) | CYP2C9CYP3A4PDE5ACYP2D6PDE3B | |
| Hydrochloric Acid SCHEMBL10859310 | 0.84 | PDE5A (0.52) | PDE5APDE3BPDE3ACYP1A2KDM4E | |
| SCHEMBL7279838 | 0.83 | CYP1A2 (0.43) | CYP2C9CYP3A4PDE5ACYP2D6PDE3B | |
| SCHEMBL11018071 | 0.81 | CYP2C9 (0.47) | CYP2C9CYP3A4PDE5ACYP2D6PDE3B | |
| SCHEMBL9634654 | 0.79 | PDE5A (0.53) | PDE5APDE3BPDE3ACYP1A2KDM4E | |
| SCHEMBL11018077 | 0.79 | CYP2C9 (0.54) | CYP2C9CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL10748751 | 0.79 | PDE5A (0.51) | PDE5APDE3BPDE3ACYP1A2KDM4E | |
| SCHEMBL11065268 | 0.78 | CYP2C9 (0.44) | CYP2C9CYP3A4PDE5ACYP2D6CYP2C19 | |
| SCHEMBL10744182 | 0.78 | PDE5A (0.52) | CYP3A4PDE5APDE3BPDE3ACYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4904785-A | INOTROPIC AGENTS FOR CARDIOVASCULAR DISORDERS | ELI LILLY AND COMPANY (US) | 1990-02-27 | — | — | US | disclosed |
| US-4758574-A | 2-phenylimidazio (4,5-c) pyridines | ELI LILLY AND COMPANY (US) | 1988-07-19 | — | — | US | disclosed |
| EP-0093593-A2 | Pyridine compounds | ELI LILLY AND COMPANY (US) | 1983-11-09 | — | — | EP | disclosed |