Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CTSD | P07339 | 1/20 | 0.33 |
| ▸ | KDM5C | P41229 | 1/20 | 0.33 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.33 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 3/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20825018 | 0.83 | HDAC1 (0.37) | HDAC1 | |
| SCHEMBL8242961 | 0.80 | HDAC1 (0.41) | HDAC1MAPTCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL23948508 | 0.74 | CA1 (0.40) | HDAC1ALDH1A1MAPTCYP3A4KMT2A | |
| SCHEMBL18536403 | 0.73 | MEN1 (0.42) | ALDH1A1MAPTKMT2AGAALMNA | |
| SCHEMBL19984771 | 0.73 | HDAC1 (0.37) | HDAC1 | |
| SCHEMBL19235337 | 0.72 | HDAC1 (0.38) | HDAC1ALDH1A1 | |
| SCHEMBL25550749 | 0.72 | HDAC1 (0.35) | HDAC1 | |
| SCHEMBL8221693 | 0.72 | KEAP1 (0.38) | HDAC1ALDH1A1MAPTLMNAPOLB | |
| SCHEMBL14897912 | 0.71 | HDAC1 (0.33) | HDAC1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL10283356 | 0.71 | HDAC1 (0.33) | HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013000267-A1 | AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE | 中国科学院上海药物研究所 (CN) | 2013-01-03 | — | — | WO | disclosed |