Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.52 |
| ▸ | BCHE | P06276 | 4/20 | 0.51 |
| ▸ | MC4R | P32245 | 1/20 | 0.43 |
| ▸ | MC3R | P41968 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 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 | |
|---|---|---|---|---|
| SCHEMBL3972862 | 0.85 | BCHE (0.60) | SIGMAR1BCHEMC4RMC3RCYP1A2 | |
| SCHEMBL15701722 | 0.80 | BCHE (0.58) | SIGMAR1BCHECYP1A2CYP2A6HTR2A | |
| SCHEMBL2891217 | 0.79 | CYP2D6 (0.42) | CYP1A2HTT | |
| SCHEMBL23058769 | 0.75 | CYP1A2 (0.42) | BCHECYP1A2HTT | |
| SCHEMBL12153268 | 0.72 | BCHE (0.56) | SIGMAR1BCHECYP1A2CYP2A6HTR2A | |
| SCHEMBL9520781 | 0.72 | SIGMAR1 (0.62) | SIGMAR1BCHECYP1A2CYP2A6HTR2A | |
| SCHEMBL3159596 | 0.69 | HTR2A (0.53) | SIGMAR1MC4RCYP1A2CYP2A6HTR2A | |
| SCHEMBL13178604 | 0.68 | SLC6A2 (0.46) | BCHEMC4RMC3RCYP1A2CYP2A6 | |
| SCHEMBL29286752 | 0.68 | BCHE (1.00) | SIGMAR1BCHE | |
| SCHEMBL30418669 | 0.67 | SIGMAR1 (0.68) | SIGMAR1BCHEMC4RCYP1A2CYP2A6 |
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-2009051661-A2 | SUBSTITUTED ARYL ALKYLAMINO-OXY-ANALOGS AND USES THEREOF | THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) | 2009-04-23 | — | — | WO | claimed |