Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 3/20 | 0.62 |
| ▸ | VCAM1 | P19320 | 2/20 | 0.62 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CASP6 | P55212 | 1/20 | 0.45 |
| ▸ | CDC25B | P30305 | 1/20 | 0.45 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11466888 | 0.95 | VCAM1 (0.68) | MAPK1VCAM1MAPTLMNAALDH1A1 | |
| Methyl Alcohol SCHEMBL27754511 | 0.93 | VCAM1 (0.64) | MAPK1VCAM1MAPTLMNAALDH1A1 | |
| SCHEMBL8625493 | 0.89 | VCAM1 (0.61) | MAPK1VCAM1MAPTLMNAALDH1A1 | |
| SCHEMBL8622602 | 0.88 | VCAM1 (0.56) | MAPK1VCAM1MAPTLMNAALDH1A1 | |
| SCHEMBL10948000 | 0.87 | VCAM1 (0.62) | MAPK1VCAM1MAPTLMNAALDH1A1 | |
| SCHEMBL27566534 | 0.83 | MAPK1 (0.68) | MAPK1VCAM1ALDH1A1CES2CES1 | |
| SCHEMBL3575705 | 0.83 | ALDH1A1 (0.58) | MAPK1VCAM1MAPTLMNAALDH1A1 | |
| Carbamic Acid SCHEMBL28101135 | 0.82 | MAPK1 (0.62) | MAPK1VCAM1MAPTLMNAALDH1A1 | |
| SCHEMBL3572303 | 0.82 | CES2 (0.57) | MAPK1VCAM1ALDH1A1CES2CES1 | |
| SCHEMBL11310140 | 0.81 | CDC25B (0.67) | VCAM1MAPTLMNAALDH1A1POLB |
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-105884695-A | Heterocyclic derivate tyrosine kinase inhibitor | 山东轩竹医药科技有限公司 | 2016-08-24 | — | — | CN | disclosed |