Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 3/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.40 |
| ▸ | DCLRE1B | Q9H816 | 2/20 | 0.38 |
| ▸ | PPARD | Q03181 | 1/20 | 0.36 |
| ▸ | NEK2 | P51955 | 1/20 | 0.36 |
| ▸ | XDH | P47989 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TTR | P02766 | 1/20 | 0.34 |
| ▸ | ALB | P02768 | 1/20 | 0.34 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL8478786 | 0.85 | PDE4D (0.41) | EGFRPDE4DDCLRE1BPPARDNEK2 | |
| SCHEMBL8481711 | 0.83 | PDE4D (0.46) | EGFRPDE4DDCLRE1BPPARDNEK2 | |
| SCHEMBL8481030 | 0.79 | LMNA (0.44) | PDE4DNEK2MEN1ALDH1A1LMNA | |
| SCHEMBL8482087 | 0.77 | CTSA (0.45) | PDE4DDCLRE1BLMNA | |
| SCHEMBL8479735 | 0.76 | MRGPRX4 (0.41) | EGFRPDE4DPPARDXDHRARA | |
| SCHEMBL8477001 | 0.76 | EGFR (0.37) | EGFRKDM4EMEN1USP2ALDH1A1 | |
| SCHEMBL8480273 | 0.75 | MRGPRX4 (0.41) | EGFRPDE4DKDM4EALDH1A1HPGD | |
| SCHEMBL19320831 | 0.68 | TTR (0.58) | DCLRE1BKDM4EMEN1USP2ALDH1A1 | |
| SCHEMBL8131613 | 0.68 | EGFR (0.48) | EGFRXDHALDH1A1CA1CA2 | |
| SCHEMBL365167 | 0.67 | KEAP1 (0.50) | DCLRE1BKDM4EMEN1USP2ALDH1A1 |
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-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 |