Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.51 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.51 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.51 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.51 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.51 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.51 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.51 |
| ▸ | MAOA | P21397 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8914849 | 1.00 | ALDH1A1 (0.58) | ALDH1A1MAPK1HDAC1HDAC2HDAC3 | |
| SCHEMBL11159431 | 1.00 | ALDH1A1 (0.58) | ALDH1A1MAPK1HDAC1HDAC2HDAC3 | |
| SCHEMBL13192566 | 1.00 | ALDH1A1 (0.58) | ALDH1A1MAPK1HDAC1HDAC2HDAC3 | |
| SCHEMBL1111714 | 0.98 | ALDH1A1 (0.61) | ALDH1A1MAPK1HDAC1HDAC2HDAC3 | |
| Hydrochloric Acid SCHEMBL17261314 | 0.96 | ALDH1A1 (0.58) | ALDH1A1MAPK1HDAC1HDAC2HDAC3 | |
| SCHEMBL5013983 | 0.91 | ALDH1A1 (0.64) | ALDH1A1MAPK1HDAC1HDAC2HDAC3 | |
| Hydrochloric Acid SCHEMBL7362808 | 0.89 | ALDH1A1 (0.61) | ALDH1A1MAPK1HDAC1HDAC2HDAC3 | |
| SCHEMBL5167895 | 0.89 | ALDH1A1 (0.74) | ALDH1A1MAPK1HDAC1HDAC2HDAC3 | |
| SCHEMBL5169003 | 0.89 | ALDH1A1 (0.74) | ALDH1A1MAPK1HDAC1HDAC2HDAC3 | |
| SCHEMBL420011 | 0.86 | ALDH1A1 (0.78) | ALDH1A1MAPK1HDAC1HDAC2HDAC3 |
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 |
|---|---|---|---|---|---|---|---|
| US-4415591-A | MIXTURE WITH A MONOAMINE OXIDASE | GEORGIA TECH RESEARCH INSTITUTE (US) | 1983-11-15 | — | — | US | disclosed |