Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 5/20 | 0.47 |
| ▸ | DRD2 | P14416 | 4/20 | 0.47 |
| ▸ | DRD4 | P21917 | 4/20 | 0.47 |
| ▸ | DRD3 | P35462 | 3/20 | 0.47 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.47 |
| ▸ | HTR1A | P08908 | 2/20 | 0.47 |
| ▸ | HTR7 | P34969 | 2/20 | 0.47 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.47 |
| ▸ | HTR3B | O95264 | 2/20 | 0.47 |
| ▸ | HTR3A | P46098 | 2/20 | 0.47 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.47 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.47 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4447696 | 0.84 | CHRM1 (0.52) | CHRM1DRD2DRD4DRD3HRH4 | |
| SCHEMBL3277971 | 0.79 | DRD2 (0.56) | CHRM1DRD2DRD4DRD3HRH4 | |
| SCHEMBL30416496 | 0.79 | DRD2 (0.56) | CHRM1DRD2DRD4DRD3HRH4 | |
| SCHEMBL11535134 | 0.79 | DRD2 (0.50) | CHRM1DRD2DRD4DRD3HRH4 | |
| Hydrochloric Acid SCHEMBL5445211 | 0.78 | DRD2 (0.55) | CHRM1DRD2DRD4DRD3HRH4 | |
| SCHEMBL5445017 | 0.74 | CHRM1 (0.49) | CHRM1DRD2DRD4DRD3HRH4 | |
| SCHEMBL142771 | 0.68 | CHRM1 (0.76) | CHRM1DRD2DRD4DRD3HRH4 | |
| SCHEMBL4336114 | 0.67 | HTR3E (0.69) | DRD2DRD4DRD3HRH4HTR1A | |
| SCHEMBL4202572 | 0.66 | CYP1A2 (0.55) | CHRM1DRD2DRD4DRD3HRH4 | |
| Clozapine SCHEMBL29112830 | 0.65 | CHRM1 (0.89) | CHRM1DRD2DRD4DRD3HRH4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1670427-A4 | METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS | COMBINATORX INC (US) | 2009-01-07 | — | — | EP | disclosed |
| EP-1670427-A2 | METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS | CombinatoRx, Incorporated (US) | 2006-06-21 | — | — | EP | disclosed |
| WO-2005027839-A2 | METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS | COMBINATORX, INCORPORATED (US) | 2005-03-31 | — | — | WO | disclosed |