Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2B6 | P20813 | 1/20 | 0.57 |
| ▸ | PDE8B | O95263 | 5/20 | 0.55 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TBXAS1 | P24557 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | PDE5A | O76074 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5857944 | 0.95 | CYP2B6 (0.54) | CYP2B6PDE8BCYP19A1TSHRKDM4C | |
| SCHEMBL29079742 | 0.90 | CYP2B6 (0.55) | CYP2B6PDE8BCYP19A1ALDH1A1TBXAS1 | |
| SCHEMBL29111008 | 0.90 | CYP2B6 (0.55) | CYP2B6PDE8BCYP19A1ALDH1A1TBXAS1 | |
| SCHEMBL9634683 | 0.78 | — | — | |
| SCHEMBL16608340 | 0.77 | CYP2B6 (0.58) | CYP2B6PDE8BCYP19A1ALDH1A1TBXAS1 | |
| SCHEMBL17407559 | 0.74 | CYP2B6 (0.69) | CYP2B6PDE8BCYP19A1ALDH1A1TBXAS1 | |
| SCHEMBL17407554 | 0.74 | CYP2B6 (0.69) | CYP2B6PDE8BCYP19A1ALDH1A1TBXAS1 | |
| SCHEMBL11047050 | 0.74 | CYP2B6 (0.96) | CYP2B6CYP19A1TBXAS1 | |
| SCHEMBL7673943 | 0.74 | CYP19A1 (0.43) | CYP2B6PDE8BCYP19A1TBXAS1 | |
| SCHEMBL7673940 | 0.74 | CYP19A1 (0.43) | CYP2B6PDE8BCYP19A1TBXAS1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5714608-A | IMMUNOMODULATORS AND ANTIVIRAL AGENTS | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1998-02-03 | — | — | US | disclosed |