Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNT1 | Q5JUK3 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL28858446 | 0.81 | ALDH1A1 (0.50) | CYP2D6CYP2C19FKBP1ALMNAALDH1A1 | |
| SCHEMBL28211325 | 0.81 | KCNT1 (0.43) | KCNT1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL25168200 | 0.78 | FKBP1A (0.49) | CYP1A2CYP2D6CYP2C19FKBP1ALMNA | |
| SCHEMBL28211323 | 0.78 | FKBP1A (0.61) | KCNT1FKBP1ALMNAALDH1A1TSHR | |
| SCHEMBL28858447 | 0.78 | CHRNB4 (0.45) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL28859984 | 0.76 | ALDH1A1 (0.62) | CYP1A2CYP3A4CYP2D6CYP2C19LMNA | |
| SCHEMBL29978636 | 0.76 | KMT2A (0.48) | CYP3A4CYP2D6CYP2C19FKBP1AALDH1A1 | |
| SCHEMBL30916938 | 0.76 | KMT2A (0.48) | CYP1A2FKBP1AALDH1A1MAPTCYP2C9 | |
| Hydrochloric Acid SCHEMBL28210785 | 0.75 | KMT2A (0.47) | CYP3A4CYP2D6CYP2C19FKBP1AALDH1A1 | |
| SCHEMBL18424952 | 0.74 | TGM2 (0.49) | CYP1A2CYP2D6CYP2C19FKBP1A |
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 |