Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | ABL1 | P00519 | 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 | |
|---|---|---|---|---|
| SCHEMBL3350071 | 0.83 | ALDH1A1 (0.58) | ALDH1A1CYP2A6TAAR1KDM4ECYP3A4 | |
| SCHEMBL293710 | 0.81 | ALDH1A1 (0.56) | ALDH1A1CYP2A6KDM4ECYP3A4LMNA | |
| SCHEMBL4747206 | 0.80 | KDM4E (0.53) | ALDH1A1TAAR1KDM4ECYP3A4LMNA | |
| SCHEMBL16877138 | 0.79 | ALDH1A1 (0.54) | ALDH1A1CYP2A6KDM4ECYP3A4LMNA | |
| SCHEMBL7711464 | 0.79 | ALDH1A1 (0.54) | ALDH1A1CYP2A6KDM4ECYP3A4LMNA | |
| SCHEMBL10889497 | 0.79 | ALDH1A1 (0.54) | ALDH1A1CYP2A6KDM4ECYP3A4LMNA | |
| SCHEMBL1004990 | 0.78 | ALDH1A1 (0.62) | ALDH1A1CYP2A6KDM4ECYP3A4LMNA | |
| SCHEMBL6052855 | 0.78 | ALDH1A1 (0.52) | ALDH1A1CYP2A6KDM4ECYP3A4LMNA | |
| SCHEMBL11834762 | 0.78 | ALDH1A1 (0.63) | ALDH1A1CYP2A6KDM4ECYP3A4LMNA | |
| SCHEMBL10529611 | 0.76 | ALDH1A1 (0.50) | ALDH1A1CYP2A6KDM4ECYP3A4LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0722436-A4 | MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS | UNIV FLORIDA STATE (US) | 1996-11-20 | — | — | EP | disclosed |
| EP-0722436-A1 | MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS | FLORIDA STATE UNIVERSITY (US) | 1996-07-24 | — | — | EP | disclosed |
| WO-1995009833-A1 | MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS | FLORIDA STATE UNIVERSITY (US) | 1995-04-13 | — | — | WO | disclosed |