Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 9/20 | 0.57 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.53 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.53 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.53 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.53 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.53 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.53 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.53 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL15839894 | 1.00 | SIGMAR1 (0.57) | SIGMAR1CA1CA2CHRM2CHRM4 | |
| Hydrochloric Acid SCHEMBL9328226 | 0.98 | SIGMAR1 (0.56) | SIGMAR1CA1CA2CHRM2CHRM4 | |
| Hydrochloric Acid SCHEMBL8809245 | 0.98 | SIGMAR1 (0.56) | SIGMAR1CA1CA2CHRM2CHRM4 | |
| Hydrochloric Acid SCHEMBL8811592 | 0.98 | SIGMAR1 (0.56) | SIGMAR1CA1CA2CHRM2CHRM4 | |
| SCHEMBL3288209 | 0.91 | ADRA2A (0.53) | SIGMAR1ADRA2AADRA2BADRA2C | |
| SCHEMBL29915393 | 0.90 | SIGMAR1 (0.60) | SIGMAR1CHRM2CHRM4ABCB1CHRM5 | |
| SCHEMBL18440619 | 0.90 | SIGMAR1 (0.60) | SIGMAR1CHRM2CHRM4ABCB1CHRM5 | |
| SCHEMBL15607724 | 0.86 | SIGMAR1 (0.65) | SIGMAR1CHRM2CHRM4ABCB1CHRM5 | |
| SCHEMBL10708541 | 0.85 | HTR2A (0.46) | SIGMAR1 | |
| SCHEMBL15286771 | 0.85 | SIGMAR1 (0.57) | SIGMAR1CHRM2CHRM4ABCB1CHRM5 |
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-1993012754-A2 | TERTIARY AND SECONDARY AMINES AS ALPHA-2 ANTAGONISTS AND SEROTONIN UPTAKE INHIBITORS | ABBOTT LABORATORIES (US) | 1993-07-08 | — | — | WO | disclosed |