Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.57 |
| ▸ | CYP2E1 | P05181 | 4/20 | 0.57 |
| ▸ | CYP2C8 | P10632 | 4/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.57 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.57 |
| ▸ | MAPT | P10636 | 4/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | METAP2 | P50579 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | SYK | P43405 | 5/20 | 0.46 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.46 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6015588 | 0.89 | RAB9A (0.60) | RAB9ACYP1A2CYP2E1CYP2C8CYP2D6 | |
| SCHEMBL6015598 | 0.86 | CYP1A2 (0.54) | RAB9ACYP1A2CYP2E1CYP2C8CYP2D6 | |
| SCHEMBL6015592 | 0.86 | KDM4E (0.52) | RAB9ACYP1A2CYP2E1CYP2C8CYP2D6 | |
| SCHEMBL6015581 | 0.84 | RAB9A (0.58) | RAB9ACYP1A2CYP2E1CYP2C8CYP2D6 | |
| SCHEMBL6015607 | 0.83 | CYP1A2 (0.45) | RAB9ACYP1A2CYP2E1CYP2C8CYP2D6 | |
| SCHEMBL6015605 | 0.83 | CYP1A2 (0.57) | RAB9ACYP1A2CYP2E1CYP2C8CYP2D6 | |
| SCHEMBL6015582 | 0.83 | CYP1A2 (0.57) | RAB9ACYP1A2CYP2E1CYP2C8CYP2D6 | |
| SCHEMBL645267 | 0.81 | RAB9A (0.63) | RAB9ACYP1A2CYP2E1CYP2C8CYP2D6 | |
| SCHEMBL5446786 | 0.79 | CYP1A2 (0.60) | RAB9ACYP1A2CYP2E1CYP2C8CYP2D6 | |
| SCHEMBL6405373 | 0.79 | GSK3A (0.50) | RAB9ACYP2E1CYP2C8CYP2D6CYP2C9 |
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 |