Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.42 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | PTPRC | P08575 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | MMP12 | P39900 | 1/20 | 0.34 |
| ▸ | MMP13 | P45452 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.33 |
| ▸ | RELA | Q04206 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | AR | P10275 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2487587 | 0.87 | CHRM1 (0.57) | S1PR1S1PR3CHRM1ALOX5PTPRC | |
| SCHEMBL2486084 | 0.85 | CHRM1 (0.53) | S1PR1CHRM1 | |
| SCHEMBL14308478 | 0.84 | CHRM1 (0.47) | S1PR1S1PR3CHRM1ALOX5PTPRC | |
| SCHEMBL2492208 | 0.78 | CHRM1 (0.41) | CHRM1ERN1 | |
| SCHEMBL2488979 | 0.78 | CHRM1 (0.39) | CHRM1MEN1KMT2AALDH1A1KDM4E | |
| SCHEMBL2487909 | 0.78 | CHRM1 (0.43) | CHRM1ERN1 | |
| SCHEMBL2492205 | 0.78 | CHRM1 (0.41) | CHRM1 | |
| SCHEMBL2488348 | 0.78 | CHRM1 (0.40) | CHRM1 | |
| SCHEMBL2488465 | 0.76 | CHRM1 (0.41) | CHRM1 | |
| SCHEMBL2487494 | 0.76 | CHRM1 (0.40) | CHRM1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2037739-B1 | BENZYL-SUBSTITUTED QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME (US) | 2011-10-26 | — | — | EP | claimed |