Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 2/20 | 0.45 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.45 |
| ▸ | RYR2 | Q92736 | 1/20 | 0.45 |
| ▸ | ADRB3 | P13945 | 7/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | DRD4 | P21917 | 2/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL28211323 | 0.78 | FKBP1A (0.61) | ALDH1A1POLB | |
| SCHEMBL28211341 | 0.78 | KCNT1 (0.53) | CHRNB4CHRNA3ALDH1A1CHRNB2CHRNA4 | |
| SCHEMBL28211335 | 0.76 | RYR2 (0.50) | RYR2ALDH1A1KDM4ECHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL28210781 | 0.75 | RYR2 (0.49) | RYR2ADRB3ALDH1A1KDM4ECHRNB2 | |
| SCHEMBL18425587 | 0.74 | GPR119 (0.56) | RYR2POLB | |
| SCHEMBL28211327 | 0.70 | ADRB3 (0.45) | RYR2ADRB3ALDH1A1KDM4EPOLB | |
| SCHEMBL27879675 | 0.70 | CHRNB2 (0.66) | ALDH1A1DRD2DRD4DRD3KDM4E | |
| SCHEMBL18423808 | 0.69 | CACNA1H (0.47) | RYR2ADRB3ALDH1A1TP53TDP1 | |
| SCHEMBL12359539 | 0.68 | DRD2 (0.67) | CHRNB4CHRNA3ALDH1A1DRD2DRD4 | |
| SCHEMBL6739276 | 0.67 | LMNA (0.56) | ALDH1A1KDM4EPOLBTP53TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107980040-A | 1,3,4- oxadiazoles sulfamide derivative as 6 inhibitor of histone deacetylase enzyme and the medical composition containing it | 株式会社钟根堂 | 2018-05-01 | — | — | CN | disclosed |