Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 4/20 | 0.56 |
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.56 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.52 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL11744714 | 0.98 | ALDH1A1 (0.59) | ALDH1A1CYP3A4CYP1A2CYP2C19HPGD | |
| SCHEMBL8574155 | 0.83 | ALDH1A1 (0.62) | ALDH1A1CYP3A4CYP1A2CYP2C19HPGD | |
| SCHEMBL547618 | 0.81 | CYP3A4 (0.68) | ALDH1A1CYP3A4CYP1A2CYP2C19HPGD | |
| SCHEMBL30992968 | 0.81 | CYP3A4 (0.68) | ALDH1A1CYP3A4CYP1A2CYP2C19HPGD | |
| SCHEMBL13359258 | 0.81 | HPGD (0.64) | ALDH1A1CYP3A4CYP1A2CYP2C19HPGD | |
| SCHEMBL1272814 | 0.80 | ALDH1A1 (0.62) | ALDH1A1CYP3A4CYP1A2CYP2C19HPGD | |
| SCHEMBL179025 | 0.79 | HPGD (0.84) | ALDH1A1HPGDNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL26372738 | 0.78 | CYP3A4 (0.73) | ALDH1A1CYP3A4CYP1A2CYP2C19HPGD | |
| SCHEMBL12330572 | 0.78 | ALDH1A1 (0.53) | ALDH1A1CYP3A4CYP1A2CYP2C19HPGD | |
| SCHEMBL179015 | 0.78 | RAB9A (0.71) | ALDH1A1CYP3A4CYP1A2CYP2C19NPC1 |
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-4065473-A | Intermediates in the preparation of 2,3,4,5-tetrahydro-1H-3-benzazepines | HOFFMANN-LA ROCHE INC. (US) | 1977-12-27 | — | — | US | disclosed |