Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 5/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.44 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2739068 | 0.81 | KMT2A (0.53) | ALDH1A1LMNAKMT2AOPRD1OPRK1 | |
| SCHEMBL2739069 | 0.78 | MGLL (0.55) | ALDH1A1LMNAKMT2AOPRM1CHRM2 | |
| SCHEMBL219220 | 0.76 | KMT2A (0.56) | ALDH1A1KMT2AOPRD1OPRM1CHRM2 | |
| SCHEMBL217563 | 0.74 | OPRM1 (0.50) | ALDH1A1POLBKMT2AOPRD1OPRK1 | |
| SCHEMBL219990 | 0.73 | KDM4E (0.41) | ALDH1A1LMNAKMT2AGAAMAPT | |
| SCHEMBL218960 | 0.72 | CYP2D6 (0.54) | ALDH1A1KMT2AOPRD1OPRK1OPRM1 | |
| SCHEMBL219789 | 0.72 | LMNA (0.49) | ALDH1A1LMNANPSR1MAPT | |
| SCHEMBL26192614 | 0.71 | OPRM1 (0.61) | ALDH1A1LMNAPOLBKMT2AOPRD1 | |
| SCHEMBL2281038 | 0.70 | ACP3 (0.46) | LMNAPOLBKMT2AMEN1 | |
| SCHEMBL1837400 | 0.69 | ACP3 (0.44) | LMNAPOLB |
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 |
|---|---|---|---|---|---|---|---|
| US-8088918-B2 | Noncardiotoxic pharmaceutical compounds | WILLIAMSBURG HOLDINGS LLC (US) | 2012-01-03 | — | — | US | disclosed |