Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 5/20 | 0.68 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ADH1B | P00325 | 2/20 | 0.44 |
| ▸ | ADH1C | P00326 | 2/20 | 0.44 |
| ▸ | ADH1A | P07327 | 2/20 | 0.44 |
| ▸ | ADH7 | P40394 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | ADH4 | P08319 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8637649 | 1.00 | KDM1A (0.68) | KDM1ATSHRALDH1A1CYP2C19MEN1 | |
| Hydrochloric Acid SCHEMBL8887564 | 0.97 | KDM1A (0.70) | KDM1ATSHRALDH1A1CYP2C19MEN1 | |
| Hydrochloric Acid SCHEMBL8887570 | 0.97 | KDM1A (0.70) | KDM1ATSHRALDH1A1CYP2C19MEN1 | |
| SCHEMBL8927039 | 0.95 | KDM1A (0.67) | KDM1ATSHRALDH1A1CYP2C19MEN1 | |
| SCHEMBL8638491 | 0.93 | KDM1A (0.82) | KDM1ATSHRALDH1A1CYP2C19MEN1 | |
| SCHEMBL8638486 | 0.93 | KDM1A (0.82) | KDM1ATSHRALDH1A1CYP2C19MEN1 | |
| Hydrochloric Acid SCHEMBL8639045 | 0.91 | KDM1A (0.83) | KDM1ATSHRALDH1A1CYP2C19MEN1 | |
| Hydrochloric Acid SCHEMBL8639041 | 0.91 | KDM1A (0.83) | KDM1ATSHRALDH1A1CYP2C19MEN1 | |
| SCHEMBL8637664 | 0.90 | KDM1A (0.68) | KDM1ATSHRALDH1A1CYP2C19MEN1 | |
| SCHEMBL8637671 | 0.90 | KDM1A (0.68) | KDM1ATSHRALDH1A1CYP2C19MEN1 |
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-0686143-B1 | UNSATURATE AMINO COMPOUNDS FOR USE AS ANTICANCER AND ANTIPROTOZOIC AGENT | CIBA GEIGY AG (CH) | 1998-08-12 | — | — | EP | claimed |
| 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 |