Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 2/20 | 0.49 |
| ▸ | HTR1A | P08908 | 2/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.49 |
| ▸ | DRD1 | P21728 | 2/20 | 0.49 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.49 |
| ▸ | DRD3 | P35462 | 2/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | ESRRB | O95718 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ESRRA | P11474 | 1/20 | 0.46 |
| ▸ | ESRRG | P62508 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4912551 | 0.81 | KDM5A (0.42) | CHRM2HTR1AADRA2ACHRM1DRD1 | |
| SCHEMBL11484640 | 0.79 | CHRNB2 (0.50) | ADRA2A | |
| SCHEMBL4905667 | 0.78 | KDM5A (0.43) | CHRM2HTR1AADRA2ACHRM1DRD1 | |
| SCHEMBL11469630 | 0.77 | KDM4E (0.56) | — | |
| SCHEMBL11447668 | 0.76 | ESRRG (0.59) | KCNH2ESRRBESR1ESRRAESRRG | |
| SCHEMBL15871644 | 0.75 | ADRA2A (0.56) | ADRA2ACHRM1CYP1A2CYP2D6HIF1A | |
| SCHEMBL4909463 | 0.74 | CYP3A4 (0.44) | CHRM2HTR1AADRA2ACHRM1DRD1 | |
| SCHEMBL11448134 | 0.74 | SLC6A4 (0.47) | SLC6A4KCNH2ESRRBESR1ESRRA | |
| SCHEMBL11448915 | 0.74 | SLC2A1 (0.58) | ADRA2AKCNH2ESRRBESR1ESRRA | |
| SCHEMBL11448032 | 0.72 | ESRRG (0.61) | KCNH2ESRRBESR1ESRRAESRRG |
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-2008133884-A2 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS | COMBINATORX, INCORPORATED (US) | 2008-11-06 | — | — | WO | disclosed |