Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 3/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | EDNRB | P24530 | 1/20 | 0.37 |
| ▸ | EDNRA | P25101 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.35 |
| ▸ | CDK5R1 | Q15078 | 3/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | MAPKAPK2 | P49137 | 3/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.34 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14889337 | 1.00 | HRH3 (0.40) | HRH3PARP1ROCK2ROCK1EDNRB | |
| SCHEMBL860760 | 1.00 | HRH3 (0.40) | HRH3PARP1ROCK2ROCK1EDNRB | |
| SCHEMBL2599151 | 1.00 | HRH3 (0.40) | HRH3PARP1ROCK2ROCK1EDNRB | |
| SCHEMBL860759 | 1.00 | HRH3 (0.40) | HRH3PARP1ROCK2ROCK1EDNRB | |
| SCHEMBL1802442 | 0.91 | BRD4 (0.43) | EDNRBEDNRABACE1GAAHDAC4 | |
| SCHEMBL1805737 | 0.91 | BRD4 (0.43) | EDNRBEDNRABACE1GAAHDAC4 | |
| SCHEMBL2598925 | 0.91 | RYR2 (0.40) | CDK5CDK5R1ALDH1A1GAAKMT2A | |
| SCHEMBL1807130 | 0.91 | RYR2 (0.40) | CDK5CDK5R1ALDH1A1GAAKMT2A | |
| SCHEMBL2598921 | 0.91 | RYR2 (0.40) | CDK5CDK5R1ALDH1A1GAAKMT2A | |
| SCHEMBL1807127 | 0.91 | RYR2 (0.40) | CDK5CDK5R1ALDH1A1GAAKMT2A |
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-2571353-A1 | MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF | AbbVie Inc. (US) | 2013-03-27 | — | — | EP | disclosed |
| WO-2011146089-A1 | MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF | ABBOTT LABORATORIES (US) | 2011-11-24 | — | — | WO | disclosed |