Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 2/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.42 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.42 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.41 |
| ▸ | IKBKB | O14920 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | ACVR1B | P36896 | 1/20 | 0.40 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.40 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | PRKACA | P17612 | 1/20 | 0.39 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.39 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.39 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.39 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.39 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.39 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.39 |
| ▸ | Q6ZSR9 | Q6ZSR9 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15088391 | 0.84 | HRH1 (0.56) | HRH1HRH3CHEK2PARP10IKBKB | |
| SCHEMBL239876 | 0.81 | HRH1 (0.53) | HRH1HRH3CHEK2PARP10KCNH2 | |
| SCHEMBL19852400 | 0.81 | HRH1 (0.56) | HRH1HRH3CHEK2PARP10IKBKB | |
| SCHEMBL942628 | 0.78 | HRH1 (0.66) | HRH1HRH3IKBKBKCNH2ACVR1B | |
| SCHEMBL13072384 | 0.78 | HRH1 (0.56) | HRH1HRH3CHEK2PARP10IKBKB | |
| SCHEMBL10964232 | 0.78 | HRH1 (0.56) | HRH1HRH3CHEK2PARP10IKBKB | |
| SCHEMBL12209632 | 0.77 | HPGD (0.53) | HRH1HRH3CHEK2PARP10KCNH2 | |
| Hydrochloric Acid SCHEMBL7480710 | 0.76 | HRH1 (0.63) | HRH1HRH3IKBKBKCNH2ACVR1B | |
| Hydrochloric Acid SCHEMBL23142001 | 0.76 | HRH1 (0.54) | HRH1HRH3CHEK2PARP10IKBKB | |
| SCHEMBL4241025 | 0.76 | HRH1 (0.62) | HRH1CHEK2PARP10KCNH2EPHX2 |
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-2018026371-A1 | DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS | SUNOVION PHARMACEUTICALS INC. (US) | 2018-02-08 | — | — | WO | disclosed |