Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 3/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | CDK4 | P11802 | 1/20 | 0.39 |
| ▸ | CCND1 | P24385 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | PRMT5 | O14744 | 2/20 | 0.39 |
| ▸ | FLT4 | P35916 | 1/20 | 0.38 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.37 |
| ▸ | KIT | P10721 | 2/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | CAMK2D | Q13557 | 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 | |
|---|---|---|---|---|
| SCHEMBL12467974 | 0.76 | GABRA1 (0.43) | HTR1ASLC6A2SLC6A4SLC6A3GABRA1 | |
| SCHEMBL12467968 | 0.70 | GABRA1 (0.44) | HTR1ASLC6A2SLC6A4SLC6A3GABRA1 | |
| SCHEMBL22397243 | 0.70 | MAPT (0.42) | KIT | |
| SCHEMBL528018 | 0.70 | SLC6A2 (0.48) | HTR1ASLC6A2SLC6A4SLC6A3HTR2C | |
| SCHEMBL8598701 | 0.69 | GABRA1 (0.44) | HTR1ASLC6A2SLC6A4SLC6A3GABRA1 | |
| SCHEMBL528020 | 0.67 | HTR6 (0.40) | HTR1ASLC6A2SLC6A4SLC6A3CDK2 | |
| SCHEMBL10626000 | 0.67 | ALDH1A1 (0.41) | HTR1A | |
| SCHEMBL28787940 | 0.65 | GABRA1 (0.43) | HTR1ASLC6A2SLC6A4SLC6A3GABRA1 | |
| SCHEMBL2264921 | 0.65 | PTPN1 (0.48) | HTR1A | |
| SCHEMBL28778944 | 0.63 | MAPT (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2598483-A1 | AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME | Rigel Pharmaceuticals, Inc. (US) | 2013-06-05 | — | — | EP | disclosed |
| WO-2012016217-A1 | AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME | RIGEL PHARMACEUTICALS, INC. (US) | 2012-02-02 | — | — | WO | disclosed |