Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.50 |
| ▸ | CA1 | P00915 | 5/20 | 0.50 |
| ▸ | CA2 | P00918 | 5/20 | 0.50 |
| ▸ | CA7 | P43166 | 5/20 | 0.50 |
| ▸ | CA9 | Q16790 | 5/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | TYR | P14679 | 2/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.39 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7872617 | 0.91 | SELL (0.44) | ALDH1A1TYRCYP19A1PTGS2PTPN1 | |
| SCHEMBL7878890 | 0.80 | SELL (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7878898 | 0.80 | SELL (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7876091 | 0.77 | CA12 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7876093 | 0.77 | CA12 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9474910 | 0.74 | HMGB1 (0.35) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9474914 | 0.74 | HMGB1 (0.35) | CA12CA1CA2CA7CA9 | |
| 2,4-Dihydroxybenzoic Acid SCHEMBL8921001 | 0.72 | ALDH1A1 (0.95) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7872614 | 0.72 | CA12 (0.59) | CA12CA1CA2CA7CA9 | |
| Paraben SCHEMBL8015210 | 0.72 | CA2 (0.42) | CA12CA1CA2CA7CA9 |
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-2000040544-A1 | ALIPHATICALLY UNSATURATED HYDROXY BENZOATES AND PRESERVATIVE COMPOSITIONS THEREOF | ISP INVESTMENTS INC. (US) | 2000-07-13 | — | — | WO | disclosed |