Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | BAD | Q92934 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CALM1 | P0DP23 | 3/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16396718 | 0.80 | CYP3A4 (0.42) | CYP3A4ALDH1A1TAAR1SMN1; SMN2POLB | |
| SCHEMBL6667574 | 0.76 | CYP3A4 (0.75) | CYP3A4ALDH1A1SMN1; SMN2POLBMEN1 | |
| SCHEMBL5657220 | 0.75 | TAAR1 (0.41) | CYP3A4ALDH1A1CYP2D6TAAR1SMN1; SMN2 | |
| SCHEMBL29960654 | 0.72 | ALDH1A1 (0.41) | CYP3A4ALDH1A1SMN1; SMN2CALM1MEN1 | |
| SCHEMBL29960298 | 0.72 | HSP90AB1 (0.45) | CYP3A4ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL12553087 | 0.72 | CYP3A4 (0.47) | CYP3A4ALDH1A1CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL19812797 | 0.71 | PARP1 (0.34) | — | |
| SCHEMBL834910 | 0.71 | TAAR1 (0.67) | CYP3A4ALDH1A1CYP2D6TAAR1CYP1A2 | |
| SCHEMBL30360689 | 0.71 | CYP3A4 (0.48) | CYP3A4ALDH1A1CYP2D6TAAR1POLB | |
| SCHEMBL29644736 | 0.71 | TAAR1 (0.67) | CYP3A4ALDH1A1CYP2D6TAAR1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022204150-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CNS DISORDERS | BLUE OAK PHARMACEUTICALS, INC. (US) | 2022-09-29 | — | — | WO | disclosed |