Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 9/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 9/20 | 0.48 |
| ▸ | ADRB1 | P08588 | 6/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.47 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.44 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.40 |
| ▸ | HTR3B | O95264 | 2/20 | 0.40 |
| ▸ | HTR3A | P46098 | 2/20 | 0.40 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.40 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL15875881 | 0.95 | ADRB1 (0.51) | CHRNB2CHRNA4ADRB1CHRM2CHRM4 | |
| SCHEMBL15925813 | 0.92 | IP6K1 (0.39) | CHRNB2CHRNA4ADRB1CHRM2CHRM4 | |
| SCHEMBL15925815 | 0.89 | CHRNB2 (0.37) | CHRNB2CHRNA4ADRB1CHRM2CHRM4 | |
| SCHEMBL15875878 | 0.77 | CHRNB2 (0.37) | CHRNB2CHRNA4ADRB1CHRM2CHRM4 | |
| SCHEMBL12273620 | 0.74 | ADRB1 (0.40) | CHRNB2CHRNA4ADRB1CHRM2CHRM4 | |
| SCHEMBL15948157 | 0.73 | SLC29A1 (0.34) | CHRNB2CHRNA4CYP3A4CYP2D6 | |
| SCHEMBL11530002 | 0.71 | ADRB1 (0.67) | CHRNB2CHRNA4ADRB1CHRM2CHRM4 | |
| SCHEMBL12273209 | 0.71 | IP6K1 (0.34) | — | |
| SCHEMBL13386208 | 0.70 | ADRB1 (0.44) | CHRNB2CHRNA4ADRB1CHRM2CHRM4 | |
| Hydrochloric Acid SCHEMBL11530582 | 0.70 | ADRB1 (0.64) | CHRNB2CHRNA4ADRB1CHRM2CHRM4 |
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 |
|---|---|---|---|---|---|---|---|
| US-8785434-B2 | Antiviral compounds | PROSETTA ANTIVIRAL INC. (US) | 2014-07-22 | — | — | US | claimed |