Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 3/20 | 0.77 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.77 |
| ▸ | KDR | P35968 | 1/20 | 0.56 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 6/20 | 0.46 |
| ▸ | GNRHR | P30968 | 7/20 | 0.43 |
| ▸ | DHODH | Q02127 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.42 |
| ▸ | DRD3 | P35462 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6583560 | 0.99 | AURKA (0.76) | AURKAAURKBKDRDGAT1KCNH2 | |
| SCHEMBL6587629 | 0.97 | AURKA (0.72) | AURKAAURKBKDRDGAT1KCNH2 | |
| SCHEMBL6589039 | 0.95 | AURKA (0.69) | AURKAAURKBKDRDGAT1KCNH2 | |
| SCHEMBL6585737 | 0.92 | AURKA (0.65) | AURKAAURKBKDRDGAT1KCNH2 | |
| SCHEMBL6588603 | 0.91 | AURKA (0.63) | AURKAAURKBKDRDGAT1KCNH2 | |
| SCHEMBL6590217 | 0.89 | AURKA (0.59) | AURKAAURKBKDRDGAT1KCNH2 | |
| SCHEMBL6583917 | 0.88 | AURKA (0.60) | AURKAAURKBKDRDGAT1KCNH2 | |
| SCHEMBL6580984 | 0.88 | AURKB (0.75) | AURKAAURKBPARP1GNRHRDHODH | |
| Hydrochloric Acid SCHEMBL6805711 | 0.86 | AURKB (0.98) | AURKAAURKBKDRPARP1DHODH | |
| SCHEMBL6587264 | 0.86 | AURKA (0.55) | AURKAAURKBKDRDGAT1KCNH2 |
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-2001082877-A2 | USE OF PARP INHIBITORS IN COSMETIC PREPARATIONS | BASF AKTIENGESELLSCHAFT (DE) | 2001-11-08 | — | — | WO | disclosed |