Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | MME | P08473 | 1/20 | 0.33 |
| ▸ | ACE | P12821 | 1/20 | 0.33 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | TGM2 | P21980 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19951581 | 0.76 | NPSR1 (0.56) | ALDH1A1CYP3A4CYP2C9CYP2C19MME | |
| SCHEMBL19951565 | 0.74 | FOLH1 (0.50) | ALDH1A1CYP3A4CYP2C9CYP2C19MME | |
| SCHEMBL19951572 | 0.74 | TGFBR1 (0.44) | ALDH1A1CYP3A4CYP2C9CYP2C19MME | |
| SCHEMBL22702034 | 0.71 | ACE (0.40) | ALDH1A1CYP3A4CYP2C9CYP2C19MME | |
| SCHEMBL19951587 | 0.71 | ITGB2 (0.51) | ALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL10102757 | 0.69 | PTPN1 (0.37) | ALDH1A1MMEACEACE2NPSR1 | |
| SCHEMBL19951595 | 0.68 | ACE (0.69) | ACE | |
| SCHEMBL19963571 | 0.67 | ATM (0.52) | ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL29867919 | 0.67 | ALDH1A1 (0.50) | ALDH1A1CYP3A4CYP2C9CYP2C19MME | |
| SCHEMBL23925357 | 0.66 | ALDH1A1 (0.32) | ALDH1A1CYP3A4CYP2C9CYP2C19TGM2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018048696-A1 | FUNCTIONALIZED COPOLYMERS AND USE THEREOF | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2018-03-15 | — | — | WO | disclosed |