Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.46 |
| ▸ | DRD4 | P21917 | 3/20 | 0.44 |
| ▸ | DRD3 | P35462 | 3/20 | 0.44 |
| ▸ | DRD2 | P14416 | 2/20 | 0.44 |
| ▸ | HPGDS | O60760 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27556122 | 0.80 | AHR (0.48) | CYP19A1DRD4DRD3SLC6A3AHR | |
| SCHEMBL29816334 | 0.79 | AHR (0.43) | CYP19A1AHR | |
| SCHEMBL6563314 | 0.77 | MCL1 (0.40) | HPGDSAHR | |
| SCHEMBL3283005 | 0.75 | ACP3 (0.55) | SLC6A2TAAR1MAOASLC6A4SLC6A3 | |
| SCHEMBL16014125 | 0.74 | MEN1 (0.52) | SLC6A2TAAR1SLC6A4AHR | |
| SCHEMBL23432526 | 0.73 | AHR (0.47) | CYP19A1DRD4DRD3SLC6A3AHR | |
| SCHEMBL3730120 | 0.73 | AHR (0.47) | SLC6A2SLC6A4SLC6A3AHR | |
| SCHEMBL10502553 | 0.72 | GPR84 (0.57) | SLC6A2SLC6A4AHR | |
| SCHEMBL3095729 | 0.72 | HRH1 (0.52) | HPGDSSLC6A2SLC6A4AHR | |
| SCHEMBL27721184 | 0.71 | CYP2D6 (0.42) | DRD4DRD3DRD2HPGDSSLC6A2 |
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-2964225-A1 | CaMKII INHIBITORS AND USES THEREOF | Allosteros Therapeutics Inc. (US) | 2016-01-13 | — | — | EP | disclosed |
| WO-2014138212-A1 | CaMKII INHIBITORS AND USES THEREOF | ALLOSTEROS THERAPEUTICS, INC. (US) | 2014-09-12 | — | — | WO | disclosed |