Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 5/20 | 0.52 |
| ▸ | PAOX | Q6QHF9 | 2/20 | 0.48 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | SMOX | Q9NWM0 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9239392 | 1.00 | KDM1A (0.52) | KDM1APAOXCNR1CNR2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8885631 | 0.98 | KDM1A (0.54) | KDM1APAOXCNR1CNR2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8885622 | 0.98 | KDM1A (0.54) | KDM1APAOXCNR1CNR2ALDH1A1 | |
| SCHEMBL3317464 | 0.93 | — | — | |
| SCHEMBL8638101 | 0.89 | KDM1A (0.56) | KDM1APAOXCNR1CNR2ALDH1A1 | |
| SCHEMBL8638098 | 0.89 | KDM1A (0.56) | KDM1APAOXCNR1CNR2ALDH1A1 | |
| SCHEMBL12723464 | 0.88 | KDM1A (0.48) | KDM1APAOX | |
| Hydrochloric Acid SCHEMBL8638114 | 0.86 | KDM1A (0.58) | KDM1APAOXCNR1CNR2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8638119 | 0.86 | KDM1A (0.58) | KDM1APAOXCNR1CNR2ALDH1A1 | |
| SCHEMBL8637555 | 0.83 | KDM1A (0.78) | KDM1APAOXCNR1CNR2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0686143-A1 | UNSATURATE AMINO COMPOUNDS FOR USE AS ANTICANCER AND ANTIPROTOZOIC AGENT | Novartis AG (CH) | 1995-12-13 | — | — | EP | claimed |
| WO-1995018091-A1 | UNSATURATE AMINO COMPOUNDS FOR USE AS ANTICANCER AND ANTIPROTOZOIC AGENT | CIBA-GEIGY AG (CH) | 1995-07-06 | — | — | WO | claimed |