Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 4/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.38 |
| ▸ | DRD3 | P35462 | 3/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.38 |
| ▸ | HRH2 | P25021 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | HTR2C | P28335 | 2/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.38 |
| ▸ | HRH1 | P35367 | 2/20 | 0.38 |
| ▸ | HTR2B | P41595 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22021977 | 1.00 | CHRM2 (0.38) | CHRM2CHRM1LMNAADRA2ASLC6A2 | |
| SCHEMBL12978538 | 0.81 | CHRM2 (0.41) | CHRM2CHRM1LMNAADRA2ASLC6A2 | |
| SCHEMBL28341029 | 0.80 | MAPT (0.40) | CHRM2CHRM1LMNAADRA2ASLC6A2 | |
| SCHEMBL24171153 | 0.79 | CHRM2 (0.39) | CHRM2CHRM1LMNAADRA2ASLC6A2 | |
| SCHEMBL7557809 | 0.79 | CHRM2 (0.39) | CHRM2CHRM1LMNAADRA2ASLC6A2 | |
| SCHEMBL24070387 | 0.78 | CHRM2 (0.36) | CHRM2CHRM1LMNAADRA2ASLC6A2 | |
| SCHEMBL9250509 | 0.78 | CHRM2 (0.42) | CHRM2CHRM1LMNAADRA2ASLC6A2 | |
| SCHEMBL3411855 | 0.78 | — | — | |
| SCHEMBL13011270 | 0.78 | — | — | |
| SCHEMBL2759866 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017091600-A1 | PYRAZOLE ACC INHIBITORS AND USES THEREOF | GILEAD APOLLO, LLC (US) | 2017-06-01 | — | — | WO | disclosed |
| WO-2012027960-A1 | QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF | 山东轩竹医药科技有限公司 (CN) | 2012-03-08 | — | — | WO | disclosed |