Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 4/20 | 0.55 |
| ▸ | HRH1 | P35367 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | GRM5 | P41594 | 2/20 | 0.44 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7001557 | 0.83 | HTR2A (0.58) | HTR2AHRH1CYP2D6GRM5GRM1 | |
| SCHEMBL29265310 | 0.76 | CYP2D6 (0.49) | HTR2AHRH1CYP2D6GRM5GRM1 | |
| SCHEMBL223348 | 0.76 | HTR2A (0.67) | HTR2AHRH1IDO1 | |
| SCHEMBL11834975 | 0.75 | CYP2D6 (0.59) | HTR2AHRH1CYP2D6GRM5GRM1 | |
| SCHEMBL13319990 | 0.74 | CYP2D6 (0.46) | HTR2AHRH1CYP2D6GRM5GRM1 | |
| SCHEMBL27276181 | 0.73 | CYP2D6 (0.46) | CYP2D6GRM5GRM1LMNATP53 | |
| SCHEMBL8256345 | 0.72 | HTR2A (0.69) | HTR2AHRH1CYP2D6IDO1LMNA | |
| SCHEMBL13962175 | 0.72 | CYP2D6 (0.45) | HTR2AHRH1CYP2D6GRM5GRM1 | |
| SCHEMBL8255138 | 0.71 | HTR2A (0.78) | HTR2AHRH1IDO1CHRM1ADRA1A | |
| SCHEMBL16617866 | 0.71 | CYP2D6 (0.56) | HTR2ACYP2D6GRM5GRM1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-7268166-B2 | Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases | NPS PHARMACEUTICALS, INC. (US) | 2007-09-11 | — | — | US | disclosed |
| US-7268166-B2 | Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases | NPS PHARMACEUTICALS, INC. (US) | 2007-09-11 | — | — | US | disclosed |