Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.57 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.52 |
| ▸ | PLK1 | P53350 | 1/20 | 0.52 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.49 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.49 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.49 |
| ▸ | DRD3 | P35462 | 1/20 | 0.49 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.49 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.47 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL31186169 | 0.82 | PDPK1 (0.70) | PDPK1PDK1TDP1SMN1; SMN2TSHR | |
| SCHEMBL3630538 | 0.81 | ALDH1A1 (0.58) | ALDH1A1PLK1MAPT | |
| SCHEMBL3129690 | 0.81 | ALDH1A1 (0.59) | ALDH1A1PLK1CHRM2CYP2D6ADRA2B | |
| SCHEMBL19829835 | 0.81 | PDPK1 (0.53) | PDPK1PDK1SMN1; SMN2TSHRNPC1 | |
| SCHEMBL8171942 | 0.81 | CA1 (0.57) | ALDH1A1PDPK1PDK1CHRM2CYP2D6 | |
| SCHEMBL10750896 | 0.80 | PTGS1 (0.50) | ALDH1A1PDPK1SMN1; SMN2TSHRCYP2C9 | |
| SCHEMBL3362929 | 0.79 | ALDH1A1 (0.57) | ALDH1A1PLK1CHRM2CYP2D6ADRA2B | |
| SCHEMBL9779780 | 0.79 | CHRM2 (0.56) | ALDH1A1PLK1CHRM2CYP2D6ADRA2B | |
| SCHEMBL11661064 | 0.78 | THRA (0.64) | ALDH1A1MAPT | |
| SCHEMBL19520440 | 0.78 | ALDH1A1 (0.55) | ALDH1A1PLK1CHRM2CYP2D6ADRA2B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5869683-A | Processes for producing 1-substituted-2-cyanoimidazole compounds | ISHIHARA SANGYO KAISHA, LTD. (JP) | 1999-02-09 | — | — | US | disclosed |
| EP-0705823-A1 | Process for producing 1-substituted-2-cyanoimidazole compounds | ISHIHARA SANGYO KAISHA LTD. (JP) | 1996-04-10 | — | — | EP | disclosed |