Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 4/20 | 0.48 |
| ▸ | CA2 | P00918 | 4/20 | 0.48 |
| ▸ | CA12 | O43570 | 3/20 | 0.48 |
| ▸ | CA3 | P07451 | 3/20 | 0.48 |
| ▸ | CA4 | P22748 | 3/20 | 0.48 |
| ▸ | CA6 | P23280 | 3/20 | 0.48 |
| ▸ | CA5A | P35218 | 3/20 | 0.48 |
| ▸ | CA7 | P43166 | 3/20 | 0.48 |
| ▸ | CA9 | Q16790 | 3/20 | 0.48 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.48 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL22694011 | 0.83 | ENPP2 (0.38) | CA1CA2CA12CA3CA6 | |
| SCHEMBL19965700 | 0.77 | ALDH1A1 (0.48) | ALDH1A1CYP3A4MAPK1LMNACYP2A6 | |
| SCHEMBL265232 | 0.77 | PTGS2 (0.69) | ALDH1A1CYP3A4MAPK1CA1CA2 | |
| SCHEMBL24062386 | 0.73 | ALDH1A1 (0.58) | ALDH1A1CYP3A4MAPK1LMNACYP2A6 | |
| SCHEMBL19141768 | 0.73 | PTGS2 (0.48) | ALDH1A1CYP3A4MAPK1LMNACYP2A6 | |
| SCHEMBL486726 | 0.73 | ALDH1A1 (0.56) | ALDH1A1CYP3A4MAPK1CA1CA2 | |
| SCHEMBL13007197 | 0.71 | GAA (0.55) | ALDH1A1CYP3A4CA1CA2CA12 | |
| SCHEMBL14430041 | 0.71 | ALDH1A1 (0.55) | ALDH1A1CYP3A4MAPK1LMNACYP2A6 | |
| SCHEMBL5052857 | 0.71 | PTGS2 (0.74) | ALDH1A1CYP3A4MAPK1PTGS2PTGS1 | |
| SCHEMBL13816199 | 0.71 | LMNA (0.45) | ALDH1A1MAPK1LMNACA1CA2 |
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-2017136466-A1 | HEME PROTEIN CATALYSTS FOR CARBON-SILICON BOND FORMATION IN VITRO AND IN VIVO | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2017-08-10 | — | — | WO | disclosed |