Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.40 |
| ▸ | NSD2 | O96028 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17546369 | 0.81 | GRIN2B (0.51) | SPHK1ALDH1A1L3MBTL1 | |
| SCHEMBL785827 | 0.79 | HRH3 (0.41) | MAPTROCK2ROCK1TRPV6ALDH1A1 | |
| SCHEMBL13674319 | 0.79 | GRIN2B (0.52) | MAPTKDM4CROCK2ROCK1TRPV6 | |
| SCHEMBL3237000 | 0.79 | ALDH1A1 (0.48) | SPHK1MAPTOPRL1ALDH1A1CYP2C9 | |
| SCHEMBL1515255 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL11828503 | 0.77 | SPHK1 (0.43) | SPHK1IDO1MAPTALDH1A1CYP2C9 | |
| Benzene SCHEMBL27459570 | 0.76 | ESR2 (0.53) | SPHK1CYP2C9 | |
| SCHEMBL16612318 | 0.76 | MEN1 (0.51) | ALDH1A1CYP2C9HRH3 | |
| SCHEMBL13674322 | 0.75 | SLC6A4 (0.50) | SPHK1CYP2C9HRH3 | |
| SCHEMBL18866837 | 0.73 | SPHK1 (0.38) | SPHK1IDO1MAPTALDH1A1CYP2C9 |
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-2619178-A1 | SUBSTITUTED BENZAMIDE COMPOUNDS | Grünenthal GmbH (DE) | 2013-07-31 | — | — | EP | disclosed |
| WO-2012038081-A1 | SUBSTITUTED BENZAMIDE COMPOUNDS | Grünenthal GmbH (DE) | 2012-03-29 | — | — | WO | disclosed |