Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 8/20 | 0.65 |
| ▸ | CA9 | Q16790 | 8/20 | 0.65 |
| ▸ | CA1 | P00915 | 6/20 | 0.65 |
| ▸ | CA6 | P23280 | 4/20 | 0.65 |
| ▸ | CA7 | P43166 | 4/20 | 0.65 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.65 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.65 |
| ▸ | CA2 | P00918 | 3/20 | 0.65 |
| ▸ | CA4 | P22748 | 3/20 | 0.65 |
| ▸ | CA3 | P07451 | 2/20 | 0.65 |
| ▸ | CA5A | P35218 | 2/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | MAOB | P27338 | 7/20 | 0.56 |
| ▸ | MAOA | P21397 | 6/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | PPARA | Q07869 | 3/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL8934537 | 0.88 | CA12 (0.62) | CA12CA9CA1CA6CA7 | |
| SCHEMBL10459353 | 0.85 | CA12 (0.58) | CA12CA9CA1CA6CA7 | |
| SCHEMBL23227094 | 0.81 | CA12 (0.71) | CA12CA9CA1CA6CA7 | |
| SCHEMBL7952557 | 0.80 | CA12 (0.69) | CA12CA9CA1CA6CA7 | |
| SCHEMBL14356146 | 0.80 | CA12 (0.64) | CA12CA9CA1CA6CA7 | |
| 7-Butoxycoumarin SCHEMBL6686295 | 0.80 | CA12 (1.00) | CA12CA9CA1CA6CA7 | |
| SCHEMBL24045405 | 0.79 | CA12 (0.82) | CA12CA9CA1CA6CA7 | |
| SCHEMBL12304245 | 0.79 | CA12 (0.81) | CA12CA9CA1CA6CA7 | |
| SCHEMBL28137765 | 0.79 | PPARA (0.79) | CYP1A2KDM4EALDH1A1PPARATDP1 | |
| SCHEMBL14515209 | 0.79 | CA12 (0.67) | CA12CA9CA1CA6CA7 |
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-1996031206-A2 | FLAVONES AND COUMARINS AS AGENTS FOR THE TREATMENT OF ATHEROSCLEROSIS | WARNER-LAMBERT COMPANY (US) | 1996-10-10 | — | — | WO | disclosed |