Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.46 |
| ▸ | HRH1 | P35367 | 6/20 | 0.44 |
| ▸ | HTR2A | P28223 | 6/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1293020 | 0.83 | SIGMAR1 (0.61) | SIGMAR1HRH1HTR2APOLBKDM4E | |
| SCHEMBL27725896 | 0.82 | POLB (0.34) | SIGMAR1POLBKDM4EALDH1A1OPRM1 | |
| SCHEMBL20854118 | 0.81 | POLB (0.36) | POLBKDM4EALDH1A1OPRM1 | |
| Butane SCHEMBL16459462 | 0.79 | SIGMAR1 (0.57) | SIGMAR1HRH1HTR2APOLBKDM4E | |
| Dimethylamine SCHEMBL8179268 | 0.77 | HRH1 (0.64) | SIGMAR1HRH1HTR2APOLBKDM4E | |
| SCHEMBL9115927 | 0.77 | SIGMAR1 (0.51) | SIGMAR1HRH1HTR2AALDH1A1CYP19A1 | |
| SCHEMBL81907 | 0.77 | SIGMAR1 (0.64) | SIGMAR1HRH1HTR2ACYP19A1CHRM2 | |
| SCHEMBL20774449 | 0.76 | ALDH1A1 (0.33) | SIGMAR1HTR2APOLBALDH1A1OPRM1 | |
| SCHEMBL1403779 | 0.76 | ALDH1A1 (0.38) | KDM4EALDH1A1LMNACYP1A2CYP3A4 | |
| SCHEMBL27806551 | 0.76 | NR1I2 (0.39) | SIGMAR1HTR2AALDH1A1OPRM1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106257976-A | Human plasma kallikrein inhibitors | 拜奥克里斯特制药公司 | 2016-12-28 | — | — | CN | disclosed |