Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 8/20 | 0.56 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.54 |
| ▸ | DRD2 | P14416 | 6/20 | 0.50 |
| ▸ | DRD3 | P35462 | 5/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3710958 | 0.90 | DRD2 (0.52) | CYP1A1S1PR1DRD2DRD3HDAC1 | |
| SCHEMBL10498437 | 0.83 | RAB9A (0.49) | CYP1A1S1PR1DRD2DRD3HDAC1 | |
| SCHEMBL10498419 | 0.81 | CYP1A1 (0.54) | CYP1A1S1PR1DRD2DRD3HDAC1 | |
| SCHEMBL10498818 | 0.81 | S1PR1 (0.52) | CYP1A1S1PR1DRD2DRD3HDAC1 | |
| SCHEMBL8686095 | 0.80 | S1PR1 (0.60) | CYP1A1S1PR1DRD2DRD3RAB9A | |
| SCHEMBL10498393 | 0.79 | CYP1A1 (0.64) | CYP1A1S1PR1DRD2DRD3HDAC1 | |
| SCHEMBL4670487 | 0.79 | DRD2 (0.45) | CYP1A1S1PR1DRD2DRD3HDAC1 | |
| SCHEMBL7828106 | 0.76 | CYP1A1 (0.64) | CYP1A1S1PR1DRD2DRD3RAB9A | |
| SCHEMBL8787666 | 0.76 | CYP1A1 (0.64) | CYP1A1S1PR1DRD2DRD3RAB9A | |
| SCHEMBL14698020 | 0.76 | DRD2 (0.65) | CYP1A1S1PR1DRD2DRD3HDAC1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4861879-A | VAGINAL FUNGICIDE | JANSSEN PHARMACEUTICA N.V. (BE) | 1989-08-29 | — | — | US | disclosed |
| EP-0118138-B1 | ((4-(4-(4-PHENYL-1-PIPERAZINYL)PHENOXYMETHYL)-1,3-DIOXOLAN-2-YL)METHYL)-1H-IMIDAZOLES AND 1H-1,2,4-TRIAZOLES | JANSSEN PHARMACEUTICA N.V. (BE) | 1989-06-14 | — | — | EP | disclosed |
| US-4735942-A | FUNGICIDE, BACTERICIDE PARTICULARLY FOR UROGENITAL DISORDERS | JANSSEN PHARMACEUTICA, N.V. (BE) | 1988-04-05 | — | — | US | disclosed |
| US-4619931-A | BACTERICIDES, FUNGICIDES | JANSSEN PHARMACEUTICA, N.V. (BE) | 1986-10-28 | — | — | US | disclosed |
| EP-0118138-A1 | ((4-(4-(4-Phenyl-1-piperazinyl)phenoxymethyl)-1,3-dioxolan-2-yl)methyl)-1H-imidazoles and 1H-1,2,4-triazoles | JANSSEN PHARMACEUTICA N.V. (BE) | 1984-09-12 | — | — | EP | disclosed |