Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Trifluoromethanesulfonic Acid SCHEMBL2834369 | 0.86 | ACHE (0.38) | ACHEKCNH2KMT2ASMN1; SMN2LMNA | |
| SCHEMBL3817615 | 0.82 | ACHE (0.45) | ACHEKCNH2CHRM2ADRA2AADORA3 | |
| Trifluoromethanesulfonic Acid SCHEMBL6852192 | 0.80 | KCNH2 (0.42) | ACHEKCNH2CHRM2ADRA2AADORA3 | |
| Bromide SCHEMBL2834644 | 0.80 | ACHE (0.47) | ACHEKCNH2CHRM2ADRA2AADORA3 | |
| Hydrochloric Acid SCHEMBL1895160 | 0.80 | KMT2A (0.47) | ACHEKCNH2CHRM2ADRA2AADORA3 | |
| SCHEMBL2834767 | 0.79 | ACHE (0.39) | ACHEKCNH2CHRM2ADRA2AADORA3 | |
| Trifluoromethanesulfonic Acid SCHEMBL609162 | 0.78 | KCNH2 (0.53) | ACHEKCNH2CHRM2ADRA2AADORA3 | |
| Trifluoromethanesulfonic Acid SCHEMBL1330325 | 0.77 | KCNH2 (0.41) | ACHEKCNH2CHRM2ADRA2AADORA3 | |
| Trifluoromethanesulfonic Acid SCHEMBL16699863 | 0.76 | KCNH2 (0.61) | ACHEKCNH2CHRM2ADRA2AADORA3 | |
| Trifluoromethanesulfonic Acid SCHEMBL712183 | 0.75 | KCNH2 (0.65) | ACHEKCNH2CHRM2ADRA2AADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020152206-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2020-07-30 | — | — | WO | disclosed |
| US-20100048327-A1 | Highly-Neutralized Golf Ball Compositions | ACUSHNET COMPANY | 2010-02-25 | — | — | US | disclosed |