Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.56 |
| ▸ | CYP2E1 | P05181 | 5/20 | 0.56 |
| ▸ | CYP2C8 | P10632 | 5/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.56 |
| ▸ | CYP2B6 | P20813 | 5/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.56 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6015601 | 0.87 | GLA (0.47) | CYP1A2CYP2C9CYP2E1CYP2C8CYP2D6 | |
| SCHEMBL6015605 | 0.86 | CYP1A2 (0.57) | CYP1A2CYP2C9CYP2E1CYP2C8CYP2D6 | |
| SCHEMBL6015589 | 0.86 | CYP1A2 (0.52) | CYP1A2CYP2C9CYP2E1CYP2C8CYP2D6 | |
| SCHEMBL6015598 | 0.83 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2E1CYP2C8CYP2D6 | |
| SCHEMBL6015612 | 0.82 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2E1CYP2C8CYP2D6 | |
| SCHEMBL6015597 | 0.80 | CYP1A2 (0.46) | CYP1A2CYP2C9CYP2E1CYP2C8CYP2D6 | |
| SCHEMBL1376440 | 0.78 | RAB9A (0.64) | CYP1A2CYP2C9CYP2E1CYP2C8CYP2D6 | |
| SCHEMBL31627176 | 0.78 | RAB9A (0.64) | CYP1A2CYP2C9CYP2E1CYP2C8CYP2D6 | |
| SCHEMBL6015591 | 0.78 | CYP1A2 (0.46) | CYP1A2CYP2C9CYP2E1CYP2C8CYP2D6 | |
| SCHEMBL6015584 | 0.78 | CYP1A2 (0.48) | CYP1A2CYP2C9CYP2E1CYP2C8CYP2D6 |
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-2012054526-A2 | CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES | ELCELYX THERAPEUTICS, INC. (US) | 2012-04-26 | — | — | WO | disclosed |