Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CCR5 | P51681 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.38 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.38 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18845641 | 0.86 | ALDH1A1 (0.43) | ALDH1A1MAPK1L3MBTL1HTR2CCYP1A2 | |
| SCHEMBL21484546 | 0.86 | ALDH1A1 (0.43) | ALDH1A1MAPK1L3MBTL1HTR2CCYP1A2 | |
| SCHEMBL19655812 | 0.86 | ALDH1A1 (0.43) | ALDH1A1MAPK1L3MBTL1HTR2CCYP1A2 | |
| SCHEMBL19655862 | 0.86 | ALDH1A1 (0.43) | ALDH1A1MAPK1L3MBTL1HTR2CCYP1A2 | |
| SCHEMBL26452726 | 0.85 | ALDH1A1 (0.43) | ALDH1A1MAPK1L3MBTL1HTR2CCYP1A2 | |
| SCHEMBL22063763 | 0.84 | ALDH1A1 (0.41) | ALDH1A1MAPK1L3MBTL1HTR2CCYP1A2 | |
| SCHEMBL21514205 | 0.83 | ALDH1A1 (0.45) | ALDH1A1MAPK1L3MBTL1HTR2CCYP1A2 | |
| SCHEMBL26452696 | 0.83 | CPB1 (0.45) | ALDH1A1MAPK1L3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL26452770 | 0.83 | ALDH1A1 (0.40) | ALDH1A1MAPK1L3MBTL1HTR2CCYP1A2 | |
| SCHEMBL22891921 | 0.82 | ALDH1A1 (0.40) | ALDH1A1MAPK1L3MBTL1HTR2CCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-9963459-B1 | Processes for the preparation of (3S,4R)-3-ethyl-4-(3H-imidazo[1,2-alpla]pyrrolo[2,3-e]-pyrazin-8-YL)-N-(2,2,2-Trifluoroethyl)pyrrol and solid state forms thereof | ABBVIE INC. (US) | 2018-05-08 | — | — | US | disclosed |