Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 7/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.45 |
| ▸ | CYP2E1 | P05181 | 6/20 | 0.45 |
| ▸ | CYP2C8 | P10632 | 6/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.45 |
| ▸ | CYP2B6 | P20813 | 6/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 7/20 | 0.42 |
| ▸ | RAB9A | P51151 | 7/20 | 0.42 |
| ▸ | MAPT | P10636 | 7/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6015598 | 0.86 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2E1CYP2C8CYP2D6 | |
| SCHEMBL6015592 | 0.86 | KDM4E (0.52) | CYP1A2CYP2C9CYP2E1CYP2C8CYP2D6 | |
| SCHEMBL6015581 | 0.84 | RAB9A (0.58) | CYP1A2CYP2C9CYP2E1CYP2C8CYP2D6 | |
| SCHEMBL6015609 | 0.83 | RAB9A (0.57) | CYP1A2CYP2C9CYP2E1CYP2C8CYP2D6 | |
| SCHEMBL6015588 | 0.82 | RAB9A (0.60) | CYP1A2CYP2C9CYP2E1CYP2C8CYP2D6 | |
| SCHEMBL6015583 | 0.78 | CYP1A2 (0.45) | CYP1A2CYP2C9CYP2E1CYP2C8CYP2D6 | |
| SCHEMBL6015612 | 0.78 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2E1CYP2C8CYP2D6 | |
| SCHEMBL14778525 | 0.77 | KDM4E (0.47) | CYP1A2CYP2C9CYP2E1CYP2C8CYP2D6 | |
| SCHEMBL6015584 | 0.76 | CYP1A2 (0.48) | CYP1A2CYP2C9CYP2E1CYP2C8CYP2D6 | |
| SCHEMBL6015593 | 0.74 | DYRK1A (0.46) | 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 |