Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 8/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 8/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.33 |
| ▸ | DUT | P33316 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14778971 | 1.00 | HCRTR1 (0.34) | HCRTR1HCRTR2CHRNB2CHRNA4DUT | |
| SCHEMBL13232246 | 0.82 | HCRTR2 (0.35) | HCRTR1HCRTR2DUTHTT | |
| SCHEMBL20304833 | 0.81 | — | — | |
| SCHEMBL22443481 | 0.80 | THRB (0.43) | HCRTR1HCRTR2DUT | |
| SCHEMBL9381558 | 0.80 | THRB (0.43) | HCRTR1HCRTR2DUT | |
| SCHEMBL17979225 | 0.80 | THRB (0.43) | HCRTR1HCRTR2DUT | |
| SCHEMBL14779601 | 0.78 | CHRNB2 (0.44) | CHRNB2CHRNA4 | |
| SCHEMBL21535328 | 0.78 | HCRTR1 (0.35) | HCRTR1HCRTR2CHRNB2CHRNA4CYP3A4 | |
| SCHEMBL14780178 | 0.77 | CYP11B1 (0.52) | — | |
| SCHEMBL6921228 | 0.76 | HCRTR1 (0.36) | HCRTR1HCRTR2 |
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-2755963-A1 | NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2014-07-23 | — | — | EP | disclosed |
| WO-2013037779-A1 | NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2013-03-21 | — | — | WO | disclosed |