Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.52 |
| ▸ | CYP2E1 | P05181 | 4/20 | 0.52 |
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | TEK | Q02763 | 1/20 | 0.47 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.47 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.47 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.47 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
| ▸ | BCR | P11274 | 1/20 | 0.42 |
| ▸ | PRKCA | P17252 | 1/20 | 0.42 |
| ▸ | PRKCD | Q05655 | 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 | |
|---|---|---|---|---|
| SCHEMBL27699427 | 0.84 | CYP2A6 (0.59) | CYP2A6CYP2E1KDRCYP2C9CYP2B6 | |
| SCHEMBL27719703 | 0.83 | MEN1 (0.54) | CYP2A6CYP2E1TEKCYP2C9CYP2B6 | |
| SCHEMBL27699234 | 0.83 | CYP2A6 (0.52) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL27699210 | 0.80 | NPY5R (0.49) | CYP2A6CYP2E1NPY5RCYP2C9CYP2B6 | |
| SCHEMBL27812074 | 0.80 | KMO (0.59) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL27719702 | 0.80 | GRM5 (0.56) | CYP2A6CYP2E1CYP2C19CYP3A4IDO1 | |
| SCHEMBL27832179 | 0.79 | HSP90AA1 (0.52) | CYP2A6CYP2E1FYN | |
| SCHEMBL27719706 | 0.78 | KEAP1 (0.51) | CYP2A6CYP2E1MAPTIDO1ABL1 | |
| SCHEMBL2835686 | 0.78 | CYP2A6 (0.52) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL15825417 | 0.77 | CYP2A6 (0.55) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101166735-A | Novel oxadiazole derivatives and their medical use | NEUROSEARCH AS (DK) | 2008-04-23 | — | — | CN | claimed |
| CN-101166735-A | Novel oxadiazole derivatives and their medical use | NEUROSEARCH AS (DK) | 2008-04-23 | — | — | CN | disclosed |