Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 13/20 | 0.38 |
| ▸ | DRD3 | P35462 | 11/20 | 0.38 |
| ▸ | DRD4 | P21917 | 8/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | DRD5 | P21918 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL32686718 | 0.84 | CYP19A1 (0.37) | CYP19A1DRD2DRD3DRD4HTR1A | |
| SCHEMBL599314 | 0.74 | CYP19A1 (0.54) | CYP19A1HTR1A | |
| SCHEMBL20131349 | 0.74 | HTR7 (0.63) | HTR1AHTR7 | |
| SCHEMBL20131348 | 0.74 | HTR7 (0.63) | DRD2DRD3HTR1AHTR7 | |
| SCHEMBL15412764 | 0.72 | CYP19A1 (0.37) | CYP19A1CHRM2CHRM1CHRM3DRD2 | |
| SCHEMBL8620926 | 0.71 | CYP19A1 (0.40) | CYP19A1CHRM2CHRM1CHRM3DRD2 | |
| SCHEMBL28850451 | 0.71 | HTR7 (0.39) | CYP19A1HTR1AHTR7 | |
| SCHEMBL24210488 | 0.70 | CYP2D6 (0.45) | CHRM2CHRM1CHRM3DRD2DRD3 | |
| SCHEMBL24210469 | 0.70 | DRD2 (0.48) | CHRM2CHRM1CHRM3DRD2DRD3 | |
| SCHEMBL30721746 | 0.68 | HTR7 (0.41) | DRD2HTR1AHTR7 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010025436-A2 | NITROGEN AND SULFUR-CONTAINING HETEROCYCLE DERIVATIVES | TRIAD MULTITECH PHARMACEUTICALS, INC. (US) | 2010-03-04 | — | — | WO | disclosed |