Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.52 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL323149 | 0.83 | DRD2 (0.56) | HTR1ADRD2DRD3 | |
| SCHEMBL2406116 | 0.81 | HTR1A (0.46) | HTR1ADRD2DRD3 | |
| SCHEMBL15688078 | 0.81 | HTR1A (0.46) | HTR1ADRD2DRD3 | |
| SCHEMBL12696027 | 0.81 | HTR1A (0.46) | HTR1ADRD2DRD3 | |
| SCHEMBL28286740 | 0.80 | HTR1A (0.49) | HTR1ADRD2DRD3 | |
| Hydrochloric Acid SCHEMBL15688231 | 0.80 | HTR1A (0.45) | HTR1ADRD2DRD3 | |
| Hydrochloric Acid SCHEMBL15687944 | 0.80 | HTR1A (0.45) | HTR1ADRD2DRD3 | |
| SCHEMBL3366934 | 0.80 | HTR1A (0.54) | HTR1ADRD2DRD3 | |
| SCHEMBL29045094 | 0.78 | HTR1A (0.43) | HTR1ADRD2DRD3 | |
| SCHEMBL27932870 | 0.78 | DRD2 (0.46) | HTR1ADRD2DRD3 |
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-1252146-A1 | AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES | AGOURON PHARMACEUTICALS, INC. (US) | 2002-10-30 | — | — | EP | disclosed |
| WO-2001053274-A1 | AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES | AGOURON PHARMACEUTICALS, INC. (US) | 2001-07-26 | — | — | WO | disclosed |