Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 5/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 2/20 | 0.31 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CTSD | P07339 | 1/20 | 0.30 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31547597 | 0.78 | ALDH1A1 (0.46) | ALDH1A1CA12CA14HDAC3HDAC1 | |
| SCHEMBL31547573 | 0.78 | ALDH1A1 (0.46) | ALDH1A1CA12CA14HDAC3HDAC1 | |
| SCHEMBL31547471 | 0.74 | ALDH1A1 (0.43) | ALDH1A1CA12CA14HDAC3HDAC1 | |
| SCHEMBL28255390 | 0.73 | ALDH1A1 (0.50) | ALDH1A1HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL27932501 | 0.72 | DGKA (0.38) | ALDH1A1CA12CA14CA7CA1 | |
| SCHEMBL13366822 | 0.69 | HDAC3 (0.44) | ALDH1A1CA12CA14HDAC3HDAC1 | |
| SCHEMBL28320471 | 0.69 | TSHR (0.42) | ALDH1A1CA12CA14CA7CA2 | |
| SCHEMBL24183895 | 0.68 | ALDH1A1 (0.44) | ALDH1A1HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL4937307 | 0.68 | — | — | |
| SCHEMBL1970547 | 0.68 | — | — |
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-108602805-A | Isoindoline, azaisoindoline, indenone and the dihydro azepine indone inhibitor of MNK1 and MNK2 | 效应治疗股份有限公司 | 2018-09-28 | — | — | CN | disclosed |