Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | RECQL | P46063 | 1/20 | 0.53 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.46 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | MME | P08473 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL15955485 | 1.00 | CYP3A4 (0.55) | CYP3A4CYP2C9RECQLAKR1C3MEN1 | |
| SCHEMBL2918640 | 0.88 | CYP3A4 (0.63) | CYP3A4CYP2C9RECQLAKR1C3MEN1 | |
| SCHEMBL309762 | 0.88 | CYP3A4 (0.63) | CYP3A4CYP2C9RECQLAKR1C3MEN1 | |
| SCHEMBL57683 | 0.88 | CYP3A4 (0.63) | CYP3A4CYP2C9RECQLAKR1C3MEN1 | |
| SCHEMBL21051783 | 0.84 | CYP2C9 (0.58) | CYP3A4CYP2C9RECQLAKR1C3MEN1 | |
| SCHEMBL21051784 | 0.84 | CYP2C9 (0.58) | CYP3A4CYP2C9RECQLAKR1C3MEN1 | |
| SCHEMBL502440 | 0.84 | KMT2A (0.49) | CYP3A4CYP2C9RECQLAKR1C3MEN1 | |
| SCHEMBL502439 | 0.84 | KMT2A (0.49) | CYP3A4CYP2C9RECQLAKR1C3MEN1 | |
| SCHEMBL4606486 | 0.84 | GRIK1 (0.53) | CYP2C9AKR1C3MEN1KMT2ATBXAS1 | |
| SCHEMBL4606493 | 0.84 | GRIK1 (0.53) | CYP2C9AKR1C3MEN1KMT2ATBXAS1 |
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-2014127149-A1 | SUBSTITUTED 4,5-DIHYDROPYRAZOLE-1,2,4-OXADIAZOLE DERIVATIVES AS SPHINGOSINE RECEPTOR MODULATORS | ALLERGAN, INC. (US) | 2014-08-21 | — | — | WO | disclosed |