Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 4/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.40 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | IDH1 | O75874 | 3/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | NAMPT | P43490 | 1/20 | 0.30 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
| ▸ | HRH1 | P35367 | 1/20 | 0.30 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21708059 | 0.87 | CNR2 (0.38) | GRIN1GRIN2BDRD2DRD3IDH1 | |
| SCHEMBL30667082 | 0.87 | DRD2 (0.38) | GRIN1GRIN2BDRD2DRD3IDH1 | |
| SCHEMBL11418045 | 0.87 | DRD2 (0.38) | GRIN1GRIN2BDRD2DRD3IDH1 | |
| SCHEMBL17413659 | 0.77 | DRD2 (0.42) | GRIN1GRIN2BDRD2DRD3IDH1 | |
| SCHEMBL8348677 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL8777224 | 0.74 | DRD2 (0.41) | GRIN1GRIN2BDRD2DRD3IDH1 | |
| Bromide SCHEMBL8777272 | 0.74 | DRD2 (0.41) | GRIN1GRIN2BDRD2DRD3IDH1 | |
| SCHEMBL9418958 | 0.74 | TSHR (0.48) | DRD2DRD3SIGMAR1HTR2AHTR2C | |
| Trifluoromethanesulfonic Acid SCHEMBL28119326 | 0.73 | CNR2 (0.38) | IDH1CNR2NAMPT | |
| SCHEMBL20840517 | 0.73 | DRD2 (0.36) | GRIN1GRIN2BDRD2DRD3SIGMAR1 |
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-3191483-B1 | COMPOUNDS AS CRTH2 ANTAGONIST AND USES THEREOF | NORTH & SOUTH BROTHER PHARMACY INVESTMENT CO LTD (CN) | 2020-06-10 | — | — | EP | disclosed |
| EP-3287461-A1 | IMIDAZO ISOINDOLE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | Jiangsu Hengrui Medicine Co., Ltd. (CN) | 2018-02-28 | — | — | EP | disclosed |