Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPY5R | Q15761 | 1/20 | 0.49 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.49 |
| ▸ | PIM1 | P11309 | 1/20 | 0.47 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.42 |
| ▸ | MC4R | P32245 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27699234 | 0.83 | CYP2A6 (0.52) | CYP2E1CYP2A6PIM1IDO1GRIN2B | |
| SCHEMBL27699427 | 0.81 | CYP2A6 (0.59) | CYP2E1CYP2A6ALDH1A1CYP2C9CYP2B6 | |
| SCHEMBL27719699 | 0.80 | CYP2A6 (0.52) | NPY5RCYP2E1CYP2A6KCNA5IDO1 | |
| SCHEMBL27719703 | 0.80 | MEN1 (0.54) | CYP2E1CYP2A6ALDH1A1POLBCYP2C9 | |
| SCHEMBL16658968 | 0.79 | KEAP1 (0.58) | NPY5RPIM1 | |
| SCHEMBL27719702 | 0.77 | GRM5 (0.56) | CYP2E1CYP2A6IDO1ALDH1A1CYP2C19 | |
| SCHEMBL27812074 | 0.77 | KMO (0.59) | CYP2E1CYP2A6ALDH1A1CYP2C9CYP2B6 | |
| SCHEMBL15825417 | 0.77 | CYP2A6 (0.55) | CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL27832179 | 0.76 | HSP90AA1 (0.52) | CYP2E1CYP2A6PIM1 | |
| SCHEMBL12710038 | 0.75 | MEN1 (0.63) | NPY5RPIM1KCNA5KIF11GRIN2B |
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 |