Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 2/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | GNAI3 | P08754 | 2/20 | 0.35 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.35 |
| ▸ | GNAI1 | P63096 | 2/20 | 0.35 |
| ▸ | NAAA | Q02083 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | TLR2 | O60603 | 2/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL26050254 | 0.98 | GBA1 (0.44) | GBA1CHRM1CHRNB2CHRNA4CHRM2 | |
| SCHEMBL3012066 | 0.95 | CHRM1 (0.42) | GBA1CHRM1CHRNB2CHRNA4CHRM2 | |
| SCHEMBL14924890 | 0.89 | CHRM1 (0.47) | GBA1CHRM1CHRM2CHRM3GNAI3 | |
| SCHEMBL25501634 | 0.89 | CHRM1 (0.47) | GBA1CHRM1CHRM2CHRM3GNAI3 | |
| SCHEMBL19833602 | 0.87 | GBA1 (0.46) | GBA1CHRM1CHRM2CHRM3GNAI3 | |
| SCHEMBL19834937 | 0.87 | GBA1 (0.46) | GBA1CHRM1CHRM2CHRM3GNAI3 | |
| SCHEMBL3008190 | 0.87 | CHRNB2 (0.42) | CHRM1CHRNB2CHRNA4CHRM2CHRM3 | |
| SCHEMBL92495 | 0.87 | CHRNB2 (0.42) | CHRM1CHRNB2CHRNA4CHRM2CHRM3 | |
| SCHEMBL2632683 | 0.83 | CHRM1 (0.51) | GBA1CHRM1CHRM2CHRM3GNAI3 | |
| SCHEMBL2632445 | 0.83 | CHRM1 (0.51) | GBA1CHRM1CHRM2CHRM3GNAI3 |
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-2268285-A1 | THERAPEUTIC COMPOUNDS | Merck Sharp & Dohme Corp. (US) | 2011-01-05 | — | — | EP | disclosed |
| WO-2009108507-A1 | THERAPEUTIC COMPOUNDS | MERCK & CO., INC. (US) | 2009-09-03 | — | — | WO | disclosed |