Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 2/20 | 0.44 |
| ▸ | HTR2C | P28335 | 2/20 | 0.44 |
| ▸ | HTR7 | P34969 | 2/20 | 0.44 |
| ▸ | HTR6 | P50406 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29978636 | 0.82 | KMT2A (0.48) | ALDH1A1FKBP1AKMT2AGLAPKM | |
| SCHEMBL30916938 | 0.82 | KMT2A (0.48) | ALDH1A1FKBP1AKMT2AGLAPKM | |
| SCHEMBL25168200 | 0.82 | FKBP1A (0.49) | ALDH1A1FKBP1AKMT2AGLACYP2D6 | |
| SCHEMBL28211341 | 0.81 | KCNT1 (0.53) | ALDH1A1FKBP1AKMT2AGLACYP2D6 | |
| Hydrochloric Acid SCHEMBL28210785 | 0.81 | KMT2A (0.47) | ALDH1A1FKBP1AKMT2AGLAPKM | |
| SCHEMBL4001428 | 0.81 | POLB (0.56) | ALDH1A1FKBP1AKMT2AGLAPKM | |
| SCHEMBL28211325 | 0.80 | KCNT1 (0.43) | ALDH1A1FKBP1AKMT2AGLACYP2D6 | |
| SCHEMBL18424952 | 0.78 | TGM2 (0.49) | FKBP1ACYP2D6CYP2C19 | |
| SCHEMBL30021540 | 0.77 | JAK2 (0.47) | FKBP1AKMT2ACYP2C19MEN1 | |
| SCHEMBL16720320 | 0.73 | ALDH1A1 (0.47) | ALDH1A1KMT2APKMESR1MAPT |
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 |