Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8319329 | 0.89 | RAB9A (0.53) | HDAC1HDAC8HDAC6ALDH1A1HPGD | |
| SCHEMBL8316571 | 0.89 | HDAC1 (0.57) | HDAC1HDAC8HDAC6ALDH1A1HPGD | |
| SCHEMBL8318448 | 0.88 | ALDH1A1 (0.56) | HDAC1HDAC8HDAC6ALDH1A1HPGD | |
| SCHEMBL8318097 | 0.86 | CYP1A2 (0.55) | HDAC1HDAC8HDAC6ALDH1A1HPGD | |
| SCHEMBL7176316 | 0.82 | RAB9A (0.63) | ALDH1A1HPGDSMN1; SMN2MAPTRAB9A | |
| SCHEMBL8319324 | 0.80 | RAB9A (0.64) | HDAC1HDAC8HDAC6ALDH1A1HPGD | |
| SCHEMBL16147300 | 0.80 | MEN1 (0.71) | HDAC1HDAC8HDAC6ALDH1A1HPGD | |
| SCHEMBL8311983 | 0.80 | RAB9A (0.58) | ALDH1A1SMN1; SMN2MAPTKDM4ECYP1A2 | |
| SCHEMBL8318235 | 0.80 | LMNA (0.51) | ALDH1A1HPGDSMN1; SMN2MAPTKDM4E | |
| SCHEMBL7334998 | 0.79 | ALDH1A1 (0.65) | ALDH1A1HPGDSMN1; SMN2MAPTKDM4E |
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-0636625-B1 | Tricyclic diazepines vasopressin and oxytocin antagonists | AMERICAN CYANAMID CO (US) | 1999-01-27 | — | — | EP | disclosed |