Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 7/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.39 |
| ▸ | TMEM97 | Q5BJF2 | 5/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | LGMN | Q99538 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4856791 | 0.99 | DRD2 (0.40) | DRD2SIGMAR1DRD3TMEM97OPRM1 | |
| SCHEMBL18092166 | 0.94 | KDM4E (0.40) | DRD2SIGMAR1DRD3OPRM1OPRD1 | |
| Hydrochloric Acid SCHEMBL4856714 | 0.93 | KDM4E (0.40) | DRD2SIGMAR1DRD3OPRM1OPRD1 | |
| Hydrochloric Acid SCHEMBL4855454 | 0.92 | KDM4E (0.44) | DRD2DRD3 | |
| Hydrochloric Acid SCHEMBL4850198 | 0.91 | DRD2 (0.41) | DRD2SIGMAR1DRD3TMEM97OPRM1 | |
| Hydrochloric Acid SCHEMBL4848400 | 0.89 | DRD2 (0.39) | DRD2DRD3OPRM1OPRD1 | |
| Hydrochloric Acid SCHEMBL4856205 | 0.88 | TMEM97 (0.40) | DRD2SIGMAR1DRD3TMEM97 | |
| Hydrochloric Acid SCHEMBL4858197 | 0.88 | OPRM1 (0.37) | SIGMAR1OPRM1OPRD1LGMN | |
| Hydrochloric Acid SCHEMBL4857731 | 0.88 | TMEM97 (0.40) | DRD2SIGMAR1DRD3TMEM97OPRM1 | |
| Hydrochloric Acid SCHEMBL4856297 | 0.86 | CYP2D6 (0.36) | DRD2SIGMAR1DRD3OPRM1OPRD1 |
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-1698620-B1 | BENZENE COMPOUNDS DISUBSTITUTED WITH CYCLIC GROUPS AT THE 1- AND 2-POSITIONS | EISAI R&D MAN CO LTD (JP) | 2016-09-28 | — | — | EP | disclosed |
| EP-1698620-A1 | BENZENE COMPOUNDS DISUBSTITUTED WITH CYCLIC GROUPS AT THE 1- AND 2-POSITIONS | Eisai Co., Ltd. (JP) | 2006-09-06 | — | — | EP | disclosed |