Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL23719581 | 0.86 | ALDH1A1 (0.46) | ALDH1A1KDM4EKMT2AMEN1CYP3A4 | |
| SCHEMBL11086634 | 0.79 | HRH3 (0.52) | ALDH1A1HRH3MAPK1SMN1; SMN2LMNA | |
| SCHEMBL16549913 | 0.77 | HRH3 (0.56) | ALDH1A1SIGMAR1HRH3MAPK1SMN1; SMN2 | |
| SCHEMBL17493163 | 0.77 | HRH3 (0.55) | ALDH1A1KDM4ECHRM2HTR1AADRA2A | |
| SCHEMBL22911174 | 0.76 | ALDH1A1 (0.54) | ALDH1A1KDM4ECHRM2HTR1AADRA2A | |
| SCHEMBL1314968 | 0.76 | ALDH1A1 (0.54) | ALDH1A1KDM4ECHRM2HTR1AADRA2A | |
| SCHEMBL154974 | 0.75 | ALDH1A1 (0.65) | ALDH1A1KDM4ECHRM2HTR1AADRA2A | |
| SCHEMBL3971866 | 0.75 | ALDH1A1 (0.65) | ALDH1A1KDM4ECHRM2HTR1AADRA2A | |
| SCHEMBL235856 | 0.75 | — | — | |
| SCHEMBL13833159 | 0.75 | ALDH1A1 (0.65) | ALDH1A1KDM4ECHRM2HTR1AADRA2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3508538-A1 | INK-JET INK COMPOSITION AND IMAGE FORMATION METHOD | FUJIFILM Corporation (JP) | 2019-07-10 | — | — | EP | disclosed |