Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.53 |
| ▸ | CA2 | P00918 | 5/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA7 | P43166 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | XDH | P47989 | 2/20 | 0.46 |
| ▸ | APP | P05067 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL38661406 | 0.89 | CYP2D6 (0.54) | CA1CA2CYP3A4HPGDGAA | |
| SCHEMBL8132899 | 0.87 | MKNK2 (0.52) | CA1CA2CYP3A4HPGDPOLB | |
| SCHEMBL8481123 | 0.85 | CA1 (0.53) | CA1CA2CYP3A4GAACYP2D6 | |
| SCHEMBL8128739 | 0.79 | EGFR (0.46) | CA1CA2CYP3A4POLBCYP2D6 | |
| SCHEMBL4283203 | 0.78 | MEN1 (0.47) | CA1CA2CYP3A4HPGDPOLB | |
| SCHEMBL775483 | 0.77 | CYP3A4 (0.53) | CYP3A4HPGDPOLBGAACYP2D6 | |
| SCHEMBL8017091 | 0.77 | CYP3A4 (0.55) | CA1CA2CYP3A4HPGDCA12 | |
| SCHEMBL8479501 | 0.77 | CA1 (0.59) | CA1CA2CA12CA7CA9 | |
| SCHEMBL7195213 | 0.76 | POLB (0.55) | CYP3A4HPGDPOLBGAACYP2C19 | |
| SCHEMBL31167179 | 0.76 | CYP3A4 (0.66) | CYP3A4HPGDPOLBGAACYP2D6 |
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-5914406-A | ENZYME INHIBITOR; USEFUL FOR TREATMENT OF INFLAMMATORY SKIN DISORDERS AND ALOPECIA | HOFFMAN-LA ROCHE INC. (US) | 1999-06-22 | — | — | US | disclosed |
| US-5750706-A | TREATMENT OF INFLAMMATORY SKIN DISORDERS AND ALOPECIA | HOFFMANN-LA ROCHE INC. (US) | 1998-05-12 | — | — | US | disclosed |
| US-5583222-A | ANTIINFLAMMATORY AGENTS FOR TREATMENT OF SKIN DISORDERS | HOFFMANN-LA ROCHE INC. (US) | 1996-12-10 | — | — | US | disclosed |