Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.52 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.52 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.52 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL11474187 | 0.83 | ALDH1A1 (0.65) | ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A | |
| SCHEMBL5189622 | 0.81 | ALDH1A1 (0.67) | ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A | |
| SCHEMBL1582969 | 0.80 | ALDH1A1 (0.91) | ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A | |
| SCHEMBL17921784 | 0.80 | ALDH1A1 (0.65) | ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A | |
| SCHEMBL7825146 | 0.80 | ALDH1A1 (0.65) | ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A | |
| SCHEMBL3062903 | 0.79 | ALDH1A1 (0.69) | ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A | |
| SCHEMBL3525857 | 0.79 | ALDH1A1 (0.70) | ALDH1A1KMT2ACA12CA1CA2 | |
| SCHEMBL8779427 | 0.79 | ALDH1A1 (0.59) | ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A | |
| SCHEMBL11625685 | 0.78 | ALDH1A1 (0.74) | ALDH1A1KMT2ARAB9ACA12CA2 | |
| SCHEMBL8971393 | 0.78 | ALDH1A1 (0.87) | ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1089964-B1 | HYDRAZINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2003-10-29 | — | — | EP | disclosed |