Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.43 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2553049 | 0.84 | KMT2A (0.54) | HDAC1HDAC6KMT2AL3MBTL1ALDH1A1 | |
| SCHEMBL3825118 | 0.84 | HDAC1 (0.51) | HDAC1HDAC6KMT2AL3MBTL1ALDH1A1 | |
| SCHEMBL16009282 | 0.83 | ALDH1A1 (0.51) | KMT2AALDH1A1TSHRMAPK1MAPT | |
| SCHEMBL6179341 | 0.83 | ALDH1A1 (0.54) | HDAC1HDAC6KMT2AL3MBTL1ALDH1A1 | |
| SCHEMBL13378362 | 0.82 | HTR3E (0.56) | HDAC1HDAC6KMT2AL3MBTL1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7259023 | 0.82 | HDAC1 (0.50) | HDAC1HDAC6KMT2AL3MBTL1ALDH1A1 | |
| SCHEMBL10339219 | 0.80 | CA2 (0.54) | ALDH1A1MAPK1CA2KDM4ELMNA | |
| SCHEMBL29844441 | 0.79 | SLC7A5 (0.52) | HDAC1HDAC6KMT2AL3MBTL1ALDH1A1 | |
| SCHEMBL13865668 | 0.79 | ALDH1A1 (0.43) | HDAC1HDAC6KMT2AL3MBTL1ALDH1A1 | |
| SCHEMBL27581167 | 0.78 | HDAC1 (0.50) | HDAC1HDAC6KMT2AL3MBTL1ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108727307-A | Compound and its application method | 安吉奥斯医药品有限公司 | 2018-11-02 | — | — | CN | disclosed |
| CN-104936954-B | Compounds and methods of use thereof | 安吉奥斯医药品有限公司 | 2018-08-14 | — | — | CN | disclosed |
| CN-104936954-A | compounds and methods of use thereof | AGIOS PHARMACEUTICALS INC | 2015-09-23 | — | — | CN | disclosed |