Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.58 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.58 |
| ▸ | HTR2A | P28223 | 1/20 | 0.58 |
| ▸ | SCN1A | P35498 | 1/20 | 0.58 |
| ▸ | HTR2B | P41595 | 1/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.58 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.58 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.58 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.58 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.58 |
| ▸ | USP2 | O75604 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL104326 | 0.85 | MEN1 (0.70) | ALDH1A1MAPK1CYP1A2CHRM2CHRM1 | |
| SCHEMBL23742316 | 0.84 | ALDH1A1 (0.85) | ALDH1A1MAPK1CYP1A2CHRM2CHRM1 | |
| SCHEMBL23742277 | 0.82 | ALDH1A1 (0.66) | ALDH1A1MAPK1CYP1A2CHRM2CHRM1 | |
| SCHEMBL29508217 | 0.80 | ALDH1A1 (0.88) | ALDH1A1MAPK1CYP1A2CHRM2CHRM1 | |
| SCHEMBL15630158 | 0.79 | MEN1 (0.64) | ALDH1A1MAPK1CYP1A2CHRM2CHRM1 | |
| SCHEMBL12204134 | 0.79 | PSMB1 (0.64) | ALDH1A1MAPK1CYP1A2CHRM2CHRM1 | |
| SCHEMBL863648 | 0.78 | ALDH1A1 (0.60) | ALDH1A1MAPK1CYP1A2CHRM2CHRM1 | |
| SCHEMBL10223326 | 0.78 | MEN1 (0.77) | ALDH1A1MAPK1CYP1A2CHRM2CHRM1 | |
| SCHEMBL4485540 | 0.77 | LTA4H (0.69) | ALDH1A1MAPK1CYP1A2CHRM2CHRM1 | |
| SCHEMBL82383 | 0.77 | ALDH1A1 (0.67) | ALDH1A1MAPK1CYP1A2CHRM2CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018136202-A2 | COMPOUNDS AND METHODS FOR CDK8 MODULATION AND INDICATIONS THEREFOR | PLEXXIKON INC. (US) | 2018-07-26 | — | — | WO | disclosed |