Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.53 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.47 |
| ▸ | GPR3 | P46089 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 8/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | RGS12 | O14924 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22240446 | 0.77 | NOTUM (0.55) | NOTUMROCK1GPR3DRD2DRD4 | |
| SCHEMBL13372442 | 0.77 | NOTUM (0.55) | NOTUMROCK1GPR3DRD2DRD4 | |
| SCHEMBL18681421 | 0.77 | NOTUM (0.55) | NOTUMROCK1GPR3DRD2DRD4 | |
| SCHEMBL2625781 | 0.77 | NOTUM (0.55) | NOTUMROCK1GPR3DRD2DRD4 | |
| SCHEMBL13846633 | 0.75 | NOTUM (0.53) | NOTUMROCK1GPR3DRD2DRD4 | |
| SCHEMBL20418094 | 0.75 | NOTUM (0.37) | NOTUMROCK1AADATMEN1GAA | |
| SCHEMBL13068179 | 0.75 | SLC6A2 (0.38) | NOTUMROCK1GPR3DRD4TSHR | |
| SCHEMBL13068270 | 0.73 | HTT (0.40) | ROCK1SLC6A2SLC6A4SLC6A3HTR2A | |
| SCHEMBL13068172 | 0.72 | NOTUM (0.43) | NOTUMTSHRSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL14218868 | 0.72 | NOTUM (0.50) | NOTUMROCK1GPR3DRD2DRD4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2251339-A2 | COMPOUNDS | Boehringer Ingelheim International GmbH (DE) | 2010-11-17 | — | — | EP | disclosed |
| EP-2251338-A2 | Organic compounds | Boehringer Ingelheim International GmbH (DE) | 2010-11-17 | — | — | EP | disclosed |
| WO-2009065920-A2 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-05-28 | — | — | WO | disclosed |
| WO-2009065919-A2 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-05-28 | — | — | WO | disclosed |
| EP-1944024-A1 | O-SUBSTITUTED ANILINE DERIVATIVE AND ANTIOXIDANT DRUG | NIPPON SODA CO., LTD. (JP) | 2008-07-16 | — | — | EP | disclosed |