Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 9/20 | 0.56 |
| ▸ | DRD5 | P21918 | 8/20 | 0.56 |
| ▸ | DRD2 | P14416 | 8/20 | 0.56 |
| ▸ | DRD3 | P35462 | 8/20 | 0.56 |
| ▸ | DRD4 | P21917 | 5/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.46 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.46 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | NOTUM | Q6P988 | 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 | |
|---|---|---|---|---|
| SCHEMBL15033137 | 0.93 | DRD1 (0.60) | DRD1DRD5DRD2DRD3DRD4 | |
| SCHEMBL15025091 | 0.89 | DRD1 (0.64) | DRD1DRD5DRD2DRD3DRD4 | |
| SCHEMBL19339144 | 0.85 | DRD1 (0.50) | DRD1DRD5DRD2DRD3DRD4 | |
| SCHEMBL4317508 | 0.82 | DRD1 (0.79) | DRD1DRD5DRD2DRD3DRD4 | |
| SCHEMBL29843474 | 0.82 | DRD1 (0.79) | DRD1DRD5DRD2DRD3DRD4 | |
| SCHEMBL11819711 | 0.79 | DRD1 (0.85) | DRD1DRD5DRD2DRD3DRD4 | |
| SCHEMBL11823744 | 0.79 | DRD1 (0.85) | DRD1DRD5DRD2DRD3DRD4 | |
| SCHEMBL4459258 | 0.79 | DRD1 (0.56) | DRD1DRD5DRD2DRD3DRD4 | |
| SCHEMBL14163680 | 0.78 | MAOB (0.67) | KDM4EMAOAMAOBSLC6A4ABCB1 | |
| SCHEMBL3698679 | 0.78 | DRD1 (0.86) | DRD1DRD5DRD2DRD3DRD4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2788086-B1 | SUBSTITUTED PYRAZOLES AS MGLU5 RECEPTOR MODULATORS | BOEHRINGER INGELHEIM INT (DE) | 2016-10-12 | — | — | EP | disclosed |
| WO-2013083591-A1 | SUBSTITUTED PYRAZOLES AS MGLU5 RECEPTOR MODULATORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-06-13 | — | — | WO | disclosed |
| EP-2251338-A2 | Organic compounds | Boehringer Ingelheim International GmbH (DE) | 2010-11-17 | — | — | EP | disclosed |
| WO-2009065919-A2 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-05-28 | — | — | WO | disclosed |