Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.61 |
| ▸ | TSHR | P16473 | 4/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 7/20 | 0.46 |
| ▸ | MAPT | P10636 | 7/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 6/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | ADRB3 | P13945 | 4/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.46 |
| ▸ | RECQL | P46063 | 3/20 | 0.46 |
| ▸ | APEX1 | P27695 | 3/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.46 |
| ▸ | DRD2 | P14416 | 3/20 | 0.46 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.46 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.46 |
| ▸ | MTOR | P42345 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6530482 | 0.85 | TSHR (0.45) | CYP3A4TSHRTDP1MAPTADRB2 | |
| SCHEMBL13698041 | 0.84 | CYP3A4 (0.47) | CYP3A4TSHRTDP1MAPTADRB2 | |
| SCHEMBL28704040 | 0.83 | CYP3A4 (0.50) | CYP3A4TSHRTDP1MAPTADRB2 | |
| SCHEMBL7146918 | 0.82 | BLM (0.69) | CYP3A4TSHRTDP1MAPTADRB2 | |
| SCHEMBL19472347 | 0.82 | BLM (0.69) | CYP3A4TSHRTDP1MAPTADRB2 | |
| SCHEMBL29457616 | 0.81 | MAPT (0.67) | CYP3A4TSHRTDP1MAPTADRB2 | |
| SCHEMBL141609 | 0.81 | MAPT (0.67) | CYP3A4TSHRTDP1MAPTADRB2 | |
| SCHEMBL16208744 | 0.79 | KDM4E (0.74) | CYP3A4TSHRTDP1MAPTADRB2 | |
| SCHEMBL14456692 | 0.79 | KDM4E (0.74) | CYP3A4TSHRTDP1MAPTADRB2 | |
| SCHEMBL27843119 | 0.79 | ESR1 (0.50) | CYP3A4TSHRTDP1MAPTADRB2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110840873-A | Application of docosapentaenoic acid in preparing medicine for preventing and treating schizophrenia | 广东海洋大学 | 2020-02-28 | — | — | CN | disclosed |
| EP-0385237-B1 | 2-(1-piperazinyl)-4-phenylcycloalkanopyridine derivatives, processes for the production thereof, and pharmaceutical composition containing the same | DAINIPPON PHARMACEUTICAL CO (JP) | 1994-06-29 | — | — | EP | disclosed |
| US-5021421-A | Psychotropic agents | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 1991-06-04 | — | — | US | disclosed |