Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | HTR4 | Q13639 | 3/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.32 |
| ▸ | HTR1A | P08908 | 2/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.32 |
| ▸ | HRH1 | P35367 | 2/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.32 |
| ▸ | ADRA1B | P35368 | 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 | |
|---|---|---|---|---|
| SCHEMBL7310996 | 0.94 | PKM (0.33) | KDM1AGSK3BCHRM4OPRM1 | |
| SCHEMBL7317052 | 0.89 | SMN1; SMN2 (0.34) | SMN1; SMN2HTR4CHRM1CHRM2HTR1A | |
| SCHEMBL7304525 | 0.88 | CYP1A2 (0.38) | KDM1ACYP1A2MAPK1SMN1; SMN2MEN1 | |
| SCHEMBL7315328 | 0.87 | CHRM4 (0.32) | SMN1; SMN2GSK3BCHRM4ALDH1A1 | |
| SCHEMBL7308778 | 0.87 | LTA4H (0.42) | — | |
| SCHEMBL7313519 | 0.85 | SMN1; SMN2 (0.40) | KDM1ASMN1; SMN2MEN1KMT2AALDH1A1 | |
| SCHEMBL7308037 | 0.84 | PKM (0.35) | KDM1ACYP1A2MAPK1SMN1; SMN2MEN1 | |
| SCHEMBL7307068 | 0.82 | CYP1A2 (0.38) | KDM1ACYP1A2MAPK1SMN1; SMN2HRH1 | |
| SCHEMBL7315892 | 0.82 | S1PR5 (0.36) | KDM1ACYP1A2MAPK1SMN1; SMN2CHRM1 | |
| SCHEMBL7306388 | 0.81 | OPRL1 (0.32) | CHRM4MEN1KMT2AALDH1A1KDM4E |
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-0711770-A1 | Antagonists of adhesion receptors | MERCK PATENT GmbH (DE) | 1996-05-15 | — | — | EP | disclosed |