Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLNR | O43193 | 11/20 | 0.44 |
| ▸ | ACKR3 | P25106 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | GHSR | Q92847 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL2012328 | 1.00 | MLNR (0.44) | MLNRACKR3LMNACYP3A4KDM4E | |
| SCHEMBL2008610 | 0.83 | MLNR (0.49) | MLNRLMNACYP3A4CYP2D6GHSR | |
| SCHEMBL2011392 | 0.83 | MLNR (0.44) | MLNRACKR3LMNACYP3A4KDM4E | |
| SCHEMBL3134318 | 0.80 | MLNR (0.71) | MLNRCYP3A4CYP2D6GHSR | |
| SCHEMBL2009388 | 0.79 | MLNR (0.55) | MLNRACKR3CYP3A4KDM4ECYP2D6 | |
| Hydrochloric Acid SCHEMBL2015309 | 0.79 | MLNR (0.70) | MLNRCYP3A4CYP2D6GHSR | |
| SCHEMBL2011041 | 0.78 | MLNR (0.42) | MLNRLMNACYP3A4CYP2D6GHSR | |
| SCHEMBL2011312 | 0.78 | MLNR (0.62) | MLNRCYP3A4KDM4ECYP2D6GHSR | |
| SCHEMBL2013396 | 0.68 | MLNR (0.47) | MLNRLMNACYP3A4KDM4ENPC1 | |
| SCHEMBL2008923 | 0.65 | MLNR (0.78) | MLNRCYP3A4CYP2D6GHSR |
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-1960390-A1 | BIARYL COMPOUNDS USEFUL AS AGONISTS OF THE GPR38 RECEPTOR | GLAXO GROUP LIMITED (GB) | 2008-08-27 | — | — | EP | disclosed |
| WO-2007065669-A1 | BIARYL COMPOUNDS USEFUL AS AGONISTS OF THE GPR38 RECEPTOR | GLAXO GROUP LIMITED (GB) | 2007-06-14 | — | — | WO | disclosed |