Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | QPCT | Q16769 | 2/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | CDC7 | O00311 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | PRKACA | P17612 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.40 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7408758 | 0.79 | PTGS2 (0.47) | QPCTCHRM3MAP4K4PRKACAGSK3B | |
| SCHEMBL9312449 | 0.78 | SMN1; SMN2 (0.46) | QPCTCHRM3MAOBHTTMAPT | |
| SCHEMBL28895570 | 0.78 | ADORA1 (0.46) | CHRM3MAOBMAP4K4PIM1PRKACA | |
| SCHEMBL3192231 | 0.78 | ALDH1A1 (0.48) | HTTLMNAMAPTMAPK1SMN1; SMN2 | |
| SCHEMBL7413107 | 0.77 | ALDH1A1 (0.52) | CHRM3MAOBMAPTMAPK1SMN1; SMN2 | |
| SCHEMBL28039405 | 0.77 | QPCT (0.51) | QPCTTAAR1CHRM3ESR2MAOB | |
| SCHEMBL3906106 | 0.77 | QPCT (0.52) | QPCTTAAR1CHRM3MAOBCDC7 | |
| SCHEMBL9311087 | 0.77 | KDM4E (0.44) | QPCTTAAR1CHRM3ESR2MAOB | |
| Hydrochloric Acid SCHEMBL16740576 | 0.76 | STAT3 (0.47) | CHRM3MAOBMAPTPOLB | |
| SCHEMBL3909899 | 0.76 | HTT (0.51) | CHRM3HTTLMNAMAPTHPGD |
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-1888530-A2 | QUINOLINE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 2008-02-20 | — | — | EP | disclosed |
| WO-2006120478-A2 | QUINOLINE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 2006-11-16 | — | — | WO | disclosed |