Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3686818 | 0.79 | CHRM1 (0.48) | CA2LMNACHRM1AKR1A1CHRM3 | |
| SCHEMBL3681180 | 0.79 | CHRM1 (0.48) | CA2LMNACHRM1AKR1A1CHRM3 | |
| SCHEMBL3687543 | 0.79 | CHRM1 (0.48) | CA2LMNACHRM1AKR1A1CHRM3 | |
| SCHEMBL3689379 | 0.79 | CHRM1 (0.48) | CA2LMNACHRM1AKR1A1CHRM3 | |
| SCHEMBL3683740 | 0.78 | ALDH1A1 (0.37) | LMNACHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL13046174 | 0.78 | ALDH1A1 (0.37) | LMNACHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL5495858 | 0.74 | CA1 (0.40) | CA1CA2LMNACHRM1AKR1A1 | |
| SCHEMBL5495857 | 0.74 | CA1 (0.40) | CA1CA2LMNACHRM1AKR1A1 | |
| SCHEMBL7514037 | 0.73 | — | — | |
| SCHEMBL7523922 | 0.73 | — | — |
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-0885215-A1 | NOVEL BENZO-1,3-DIOXOLYL- AND BENZOFURANYL SUBSTITUTED PYRROLIDINE DERIVATIVES AS ENDOTHELIN ANTAGONISTS | Abbott Laboratories (US) | 1998-12-23 | — | — | EP | disclosed |
| WO-1997030045-A1 | NOVEL BENZO-1,3-DIOXOLYL- AND BENZOFURANYL SUBSTITUTED PYRROLIDINE DERIVATIVES AS ENDOTHELIN ANTAGONISTS | ABBOTT LABORATORIES (US) | 1997-08-21 | — | — | WO | disclosed |