Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.56 |
| ▸ | LSS | P48449 | 2/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.44 |
| ▸ | HTR3A | P46098 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL10177543 | 1.00 | DRD2 (0.56) | DRD2LSSIDO1CYP2C9ESR2 | |
| SCHEMBL8015280 | 0.94 | DRD2 (0.51) | DRD2LSSIDO1CYP2C9ESR2 | |
| SCHEMBL7508508 | 0.94 | DRD2 (0.51) | DRD2LSSIDO1CYP2C9ESR2 | |
| SCHEMBL8029049 | 0.94 | DRD2 (0.51) | DRD2LSSIDO1CYP2C9ESR2 | |
| SCHEMBL8015276 | 0.94 | DRD2 (0.51) | DRD2LSSIDO1CYP2C9ESR2 | |
| SCHEMBL8029040 | 0.94 | DRD2 (0.51) | DRD2LSSIDO1CYP2C9ESR2 | |
| SCHEMBL8453164 | 0.90 | DRD2 (0.47) | DRD2LSSIDO1CYP2C9ESR2 | |
| SCHEMBL8453170 | 0.90 | DRD2 (0.47) | DRD2LSSIDO1CYP2C9ESR2 | |
| SCHEMBL8453175 | 0.90 | DRD2 (0.47) | DRD2LSSIDO1CYP2C9ESR2 | |
| SCHEMBL11187444 | 0.89 | ESR2 (0.52) | DRD2CYP2C9ESR2ESR1CYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017049177-A1 | FARNESOID X RECEPTOR AGONISTS AND USES THEREOF | METACRINE, INC. (US) | 2017-03-23 | — | — | WO | disclosed |
| EP-0074608-B1 | LIQUID CRYSTAL HALOGEN COMPOUNDS, PROCESS FOR THEIR PREPARATION, DIELECTRIC AND DECTROOPTICAL DISPLAY ELEMENT CONTAINING THEM | MERCK PATENT GmbH (DE) | 1985-07-03 | — | — | EP | disclosed |
| US-4490305-A | Liquid-crystalline halogen compounds, process for their preparation, dielectrics containing these, and electro-optical display element | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1984-12-25 | — | — | US | disclosed |
| EP-0074608-A2 | Liquid crystal halogen compounds, process for their preparation, dielectric and dectrooptical display element containing them | MERCK PATENT GmbH (DE) | 1983-03-23 | — | — | EP | disclosed |