Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACKR3 | P25106 | 4/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.57 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.51 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.51 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.51 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.51 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.51 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.51 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.51 |
| ▸ | DRD2 | P14416 | 1/20 | 0.51 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.51 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.51 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.51 |
| ▸ | HRH2 | P25021 | 1/20 | 0.51 |
| ▸ | HTR2A | P28223 | 1/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.51 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL9357779 | 0.91 | ACKR3 (0.68) | ACKR3KMT2AKCNH2CHRM2CHRM3 | |
| SCHEMBL953884 | 0.91 | ACKR3 (0.68) | ACKR3KMT2AKCNH2CHRM2CHRM3 | |
| SCHEMBL953886 | 0.91 | ACKR3 (0.68) | ACKR3KMT2AKCNH2CHRM2CHRM3 | |
| SCHEMBL13590408 | 0.88 | ACKR3 (0.59) | ACKR3CYP2J2KCNH2CHRM2CHRM3 | |
| SCHEMBL9361705 | 0.87 | ACKR3 (0.75) | ACKR3KCNH2CHRM2CHRM3ADRB2 | |
| SCHEMBL9361710 | 0.87 | ACKR3 (0.75) | ACKR3KCNH2CHRM2CHRM3ADRB2 | |
| SCHEMBL13592297 | 0.86 | CHRM3 (0.61) | ACKR3CYP2J2KCNH2CHRM2CHRM3 | |
| SCHEMBL13590341 | 0.86 | CHRM3 (0.61) | ACKR3CYP2J2KCNH2CHRM2CHRM3 | |
| SCHEMBL13590478 | 0.86 | CHRM3 (0.61) | ACKR3CYP2J2KCNH2CHRM2CHRM3 | |
| SCHEMBL13590293 | 0.86 | CHRM3 (0.61) | ACKR3CYP2J2KCNH2CHRM2CHRM3 |
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-2121594-A1 | QUATERNARY AMMONIUM DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | Theravance, Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008103426-A1 | QUATERNARY AMMONIUM DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2008-08-28 | — | — | WO | disclosed |