Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.78 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.78 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.78 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.78 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.71 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.69 |
| ▸ | NPC1 | O15118 | 2/20 | 0.69 |
| ▸ | RAB9A | P51151 | 2/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.69 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.69 |
| ▸ | HTT | P42858 | 2/20 | 0.68 |
| ▸ | BLM | P54132 | 1/20 | 0.65 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.65 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.65 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.64 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.62 |
| ▸ | MAPT | P10636 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL4657603 | 0.88 | ALDH1A1 (0.70) | ALDH1A1CYP1A2CYP2C19KDM4EL3MBTL1 | |
| SCHEMBL23332048 | 0.84 | ALDH1A1 (0.64) | ALDH1A1CYP1A2CYP2C19KDM4EL3MBTL1 | |
| SCHEMBL11616061 | 0.83 | RAB9A (0.76) | ALDH1A1CYP1A2CYP2C19KDM4EL3MBTL1 | |
| SCHEMBL30184438 | 0.82 | NPC1 (1.00) | CYP1A2CYP2C19KDM4ECYP2C9NPC1 | |
| SCHEMBL4642544 | 0.82 | NPC1 (1.00) | CYP1A2CYP2C19KDM4ECYP2C9NPC1 | |
| SCHEMBL17737359 | 0.82 | KMT2A (0.76) | ALDH1A1CYP1A2CYP2C19KDM4ECYP2C9 | |
| SCHEMBL6645868 | 0.81 | HTT (1.00) | ALDH1A1KDM4EL3MBTL1NPC1RAB9A | |
| SCHEMBL4531531 | 0.81 | L3MBTL1 (0.64) | ALDH1A1CYP1A2CYP2C19KDM4EL3MBTL1 | |
| SCHEMBL13966176 | 0.81 | L3MBTL1 (0.64) | ALDH1A1CYP1A2CYP2C19KDM4EL3MBTL1 | |
| SCHEMBL20421676 | 0.80 | ALDH1A1 (0.54) | ALDH1A1CYP1A2CYP2C19KDM4EL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108368083-B | Heteroaryl compounds and their use as therapeutic agents | 东亚首希控股股份有限公司 | 2022-02-01 | — | — | CN | disclosed |