Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA3 | P32297 | 3/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.41 |
| ▸ | SSTR4 | P31391 | 7/20 | 0.39 |
| ▸ | HTR2C | P28335 | 3/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | SSTR1 | P30872 | 3/20 | 0.39 |
| ▸ | KRAS | P01116 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.36 |
| ▸ | CHRNB3 | Q05901 | 2/20 | 0.36 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.36 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL3114765 | 0.95 | CHRNA3 (0.46) | CHRNA3CHRNB4SSTR4HTR2CHTR2A | |
| SCHEMBL3111253 | 0.92 | CHRNB4 (0.47) | CHRNA3CHRNB4HTR2CHTR2AKCNH2 | |
| SCHEMBL906007 | 0.86 | CHRNB4 (0.53) | CHRNA3CHRNB4KRASCHRNB2CHRNA4 | |
| SCHEMBL7055867 | 0.86 | CHRNB4 (0.53) | CHRNA3CHRNB4KRASCHRNB2CHRNA4 | |
| Trifluoroacetic Acid SCHEMBL3116407 | 0.85 | IRAK4 (0.38) | CHRNA3CHRNB4SSTR4HTR2CHTR2A | |
| Trifluoroacetic Acid SCHEMBL3124283 | 0.85 | HTR2C (0.40) | SSTR4HTR2CHTR2AKCNH2SSTR1 | |
| Trifluoroacetic Acid SCHEMBL6198900 | 0.84 | HTR2C (0.39) | SSTR4HTR2CHTR2AKCNH2SSTR1 | |
| SCHEMBL5585669 | 0.83 | KRAS (0.39) | CHRNA3CHRNB4HTR2CHTR2AKRAS | |
| Succinic Acid SCHEMBL15022004 | 0.79 | HTR2C (0.39) | SSTR4HTR2CHTR2AKCNH2SSTR1 | |
| SCHEMBL6181243 | 0.79 | CHRNB4 (0.45) | CHRNA3CHRNB4HTR2CHTR2AKCNH2 |
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-1513831-B1 | NOVEL COMPOUNDS, THEIR USE AND PREPARATION | BIOVITRUM AB PUBL (SE) | 2010-01-06 | — | — | EP | claimed |