Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | COMT | P21964 | 1/20 | 0.48 |
| ▸ | SLC10A6 | Q3KNW5 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | RAF1 | P04049 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.37 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.37 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13545969 | 0.82 | ALDH1A1 (0.49) | ALDH1A1COMTSLC10A6MAPTPOLB | |
| SCHEMBL27873028 | 0.80 | ESR2 (0.41) | ALDH1A1VCAM1TDP1LMNAHPGD | |
| SCHEMBL1007296 | 0.77 | KMT2A (0.50) | ALDH1A1SLC10A6MAPTPOLBKMT2A | |
| SCHEMBL13545970 | 0.77 | ALDH1A1 (0.42) | ALDH1A1COMTSLC10A6VCAM1KMT2A | |
| SCHEMBL31411579 | 0.76 | PDGFRB (0.48) | ALDH1A1COMTSLC10A6MAPTPOLB | |
| SCHEMBL2987502 | 0.74 | MAPT (0.49) | ALDH1A1MAPTPOLBKMT2AMEN1 | |
| SCHEMBL15537166 | 0.74 | MAPT (0.42) | COMTMAPTPOLBKMT2AMEN1 | |
| SCHEMBL1848834 | 0.73 | ALDH1A1 (0.60) | ALDH1A1SLC10A6MAPTPOLBKMT2A | |
| SCHEMBL23459705 | 0.72 | COMT (0.52) | ALDH1A1COMTSLC10A6MAPTPOLB | |
| SCHEMBL28866506 | 0.72 | COMT (0.46) | ALDH1A1COMTSLC10A6MAPTPOLB |
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-110294746-A | A kind of new ASK1 inhibitor and its application | 山东轩竹医药科技有限公司 | 2019-10-01 | — | — | CN | disclosed |
| CN-109563094-A | Acyclic derivatives, their preparation method and the pharmaceutical composition containing them that new (miscellaneous) aryl replaces | 法国施维雅药厂 | 2019-04-02 | — | — | CN | disclosed |
| CN-105283443-B | Hete rocyclic derivatives and application thereof | 株式会社C&C新药研究所 | 2018-08-17 | — | — | CN | disclosed |