Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 5/20 | 0.62 |
| ▸ | CHRNA5 | P30532 | 5/20 | 0.62 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.62 |
| ▸ | CA9 | Q16790 | 2/20 | 0.60 |
| ▸ | NPC1 | O15118 | 4/20 | 0.59 |
| ▸ | RAB9A | P51151 | 4/20 | 0.59 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.58 |
| ▸ | TP53 | P04637 | 4/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.57 |
| ▸ | MAPT | P10636 | 4/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.54 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.54 |
| ▸ | RELA | Q04206 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | PPARA | Q07869 | 4/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL2273541 | 0.84 | CHRNB2 (0.66) | CHRNB2CHRNA5CHRNA4CA9NPC1 | |
| Hydrochloric Acid SCHEMBL2278057 | 0.83 | CHRNB2 (0.64) | CHRNB2CHRNA5CHRNA4CA9NPC1 | |
| SCHEMBL1423258 | 0.81 | CHRNB2 (0.61) | CHRNB2CHRNA5CHRNA4CA9NPC1 | |
| SCHEMBL10316671 | 0.80 | ALDH1A1 (0.57) | CHRNB2CHRNA5CHRNA4CA9NPC1 | |
| SCHEMBL1422890 | 0.79 | CHRNB2 (1.00) | CHRNB2CHRNA5CHRNA4CA9NPC1 | |
| SCHEMBL1423294 | 0.78 | CHRNB2 (0.73) | CHRNB2CHRNA5CHRNA4CA9NPC1 | |
| SCHEMBL14327890 | 0.77 | NPC1 (0.74) | CHRNB2CHRNA5CHRNA4CA9NPC1 | |
| SCHEMBL8039918 | 0.77 | CHRNB2 (0.71) | CHRNB2CHRNA5CHRNA4CA9NPC1 | |
| SCHEMBL1423272 | 0.77 | CHRNB2 (0.71) | CHRNB2CHRNA5CHRNA4CA9NPC1 | |
| SCHEMBL2461555 | 0.77 | CHRNB2 (0.71) | CHRNB2CHRNA5CHRNA4CA9NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010138600-A2 | PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN | ABBOTT LABORATORIES (US) | 2010-12-02 | — | — | WO | disclosed |