Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | SPHK1 | Q9NYA1 | 7/20 | 0.38 |
| ▸ | SPHK2 | Q9NRA0 | 6/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | PRKD3 | O94806 | 2/20 | 0.34 |
| ▸ | PRKCG | P05129 | 2/20 | 0.34 |
| ▸ | PRKCB | P05771 | 2/20 | 0.34 |
| ▸ | PRKCA | P17252 | 2/20 | 0.34 |
| ▸ | PRKCH | P24723 | 2/20 | 0.34 |
| ▸ | PRKCI | P41743 | 2/20 | 0.34 |
| ▸ | PRKCE | Q02156 | 2/20 | 0.34 |
| ▸ | PRKCQ | Q04759 | 2/20 | 0.34 |
| ▸ | PRKCZ | Q05513 | 2/20 | 0.34 |
| ▸ | PRKCD | Q05655 | 2/20 | 0.34 |
| ▸ | PRKD1 | Q15139 | 2/20 | 0.34 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.33 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20732767 | 0.98 | ALDH1A1 (0.54) | ALDH1A1EPHX1SPHK1SPHK2TDP1 | |
| SCHEMBL11219791 | 0.98 | ALDH1A1 (0.54) | ALDH1A1EPHX1SPHK1SPHK2TDP1 | |
| SCHEMBL11983845 | 0.93 | ALDH1A1 (0.41) | ALDH1A1EPHX1SPHK1SPHK2TDP1 | |
| SCHEMBL9837966 | 0.84 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL13412536 | 0.83 | ALDH1A1 (0.56) | ALDH1A1EPHX1SPHK1SPHK2TDP1 | |
| SCHEMBL1470343 | 0.83 | ALDH1A1 (0.56) | ALDH1A1EPHX1SPHK1SPHK2TDP1 | |
| SCHEMBL1471935 | 0.83 | ALDH1A1 (0.56) | ALDH1A1EPHX1SPHK1SPHK2TDP1 | |
| SCHEMBL1469745 | 0.83 | ALDH1A1 (0.56) | ALDH1A1EPHX1SPHK1SPHK2TDP1 | |
| SCHEMBL1470315 | 0.83 | ALDH1A1 (0.56) | ALDH1A1EPHX1SPHK1SPHK2TDP1 | |
| SCHEMBL8052170 | 0.82 | ALDH1A1 (0.45) | ALDH1A1EPHX1SPHK1SPHK2PRKD3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020186199-A1 | PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | CALICO LIFE SCIENCES LLC (US) | 2020-09-17 | — | — | WO | disclosed |
| WO-2012028578-A1 | SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES | BAYER CROPSCIENCE AG (DE) | 2012-03-08 | — | — | WO | disclosed |
| EP-0133881-A1 | Aliphatic monoethers of 2,2-dimethylpropane-1,3-diol with C3 to C20 alkoxy groups, with the exception of 3-isopropoxy-2,2-dimethylpropane-1-ol and 3-tert.butoxy-2,2-dimethylpropane-1-ol, process for their production and their use as plasticizer alcohols | HÜLS AKTIENGESELLSCHAFT (DE) | 1985-03-13 | — | — | EP | disclosed |