Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 9/20 | 0.58 |
| ▸ | CA1 | P00915 | 5/20 | 0.46 |
| ▸ | CA2 | P00918 | 5/20 | 0.46 |
| ▸ | CA9 | Q16790 | 5/20 | 0.46 |
| ▸ | CA12 | O43570 | 4/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.44 |
| ▸ | PTGES | O14684 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | PDE5A | O76074 | 1/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.44 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5698738 | 0.80 | PTGS2 (0.65) | PTGS2CA1CA2CA9CA12 | |
| SCHEMBL28293268 | 0.80 | SMN1; SMN2 (0.43) | LMNACYP2C9CYP3A4POLBALDH1A1 | |
| SCHEMBL14353722 | 0.79 | ALDH1A1 (0.66) | PTGS2CA1CA2CA9CA12 | |
| SCHEMBL23403562 | 0.78 | PTGS2 (0.66) | PTGS2CA1CA2CA9CA12 | |
| SCHEMBL28872888 | 0.77 | KCNJ6 (0.44) | PTGS2PTGS1LMNASMN1; SMN2HTT | |
| SCHEMBL28293385 | 0.77 | POLB (0.55) | PTGS2LMNAPOLBALDH1A1SMN1; SMN2 | |
| SCHEMBL2514163 | 0.77 | MAPK1 (0.56) | LMNACYP2C9ALOX5TSHRALDH1A1 | |
| SCHEMBL28295435 | 0.77 | POLB (0.43) | PTGS2LMNAMAPK14POLBALDH1A1 | |
| SCHEMBL11950660 | 0.75 | PTGS2 (0.59) | PTGS2CA1CA2CA9CA12 | |
| SCHEMBL28872885 | 0.75 | LMNA (0.60) | PTGS2PTGS1LMNAADORA3TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-105853246-A | Keratin dyeing compositions comprising radical scavenger and chelant and use thereof | 宝洁公司 | 2016-08-17 | — | — | CN | claimed |