Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | DRD1 | P21728 | 1/20 | 0.47 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | PSMB1 | P20618 | 3/20 | 0.47 |
| ▸ | PSMB5 | P28074 | 3/20 | 0.47 |
| ▸ | PSMB2 | P49721 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2734116 | 1.00 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2HRH3CHRM2HTR1A | |
| SCHEMBL824037 | 0.98 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2HRH3CHRM2HTR1A | |
| SCHEMBL12788388 | 0.96 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2HRH3CHRM2HTR1A | |
| SCHEMBL10159897 | 0.93 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2HRH3CHRM2HTR1A | |
| SCHEMBL19958953 | 0.91 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2HRH3CHRM2HTR1A | |
| SCHEMBL19958939 | 0.88 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2HRH3CHRM2HTR1A | |
| SCHEMBL1106451 | 0.87 | HRH3 (0.51) | ALDH1A1HRH3MAOB | |
| SCHEMBL10025515 | 0.87 | HRH3 (0.51) | ALDH1A1HRH3MAOB | |
| SCHEMBL22560689 | 0.86 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2HRH3CHRM2HTR1A | |
| SCHEMBL13174428 | 0.85 | HRH3 (0.54) | ALDH1A1HRH3KDM4EMAOB |
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-7605176-B2 | β-ketoamide compounds with MCH antagonistic activity | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-10-20 | — | — | US | disclosed |
| US-7605176-B2 | β-ketoamide compounds with MCH antagonistic activity | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-10-20 | — | — | US | disclosed |