Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.38 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | TYMS | P04818 | 1/20 | 0.34 |
| ▸ | METAP1 | P53582 | 1/20 | 0.34 |
| ▸ | TYR | P14679 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28725626 | 0.83 | CYP19A1 (0.54) | ACHEMAPK1CYP19A1DRD2DRD3 | |
| SCHEMBL28725627 | 0.83 | CYP19A1 (0.54) | ACHEMAPK1CYP19A1DRD2DRD3 | |
| SCHEMBL20539615 | 0.79 | ACHE (0.40) | ACHEAADATCYP19A1METAP1 | |
| SCHEMBL19764906 | 0.79 | CDK5 (0.44) | ACHECYP19A1CA1CA2CA7 | |
| SCHEMBL8556821 | 0.79 | ACHE (0.40) | ACHENOS3NOS2AADATMAPK1 | |
| SCHEMBL6472550 | 0.79 | ACHE (0.66) | ACHENOS3NOS2AADATMAPK1 | |
| SCHEMBL30666598 | 0.79 | ACHE (0.40) | ACHENOS3NOS2AADATMAPK1 | |
| SCHEMBL7335569 | 0.79 | AADAT (0.41) | ACHENOS3NOS2AADATMAPK1 | |
| SCHEMBL9317264 | 0.75 | METAP1 (0.46) | ACHENOS3NOS2AADATMAPK1 | |
| SCHEMBL14940317 | 0.75 | CYP19A1 (0.57) | ACHENOS3NOS2MAPK1CYP19A1 |
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-3043784-A1 | ARYL ETHERS AND USES THEREOF | Peloton Therapeutics, Inc. (US) | 2016-07-20 | — | — | EP | disclosed |
| WO-2015035223-A1 | ARYL ETHERS AND USES THEREOF | PELOTON THERAPEUTICS, INC. (US) | 2015-03-12 | — | — | WO | disclosed |