Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CHKA | P35790 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.30 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.30 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.30 |
| ▸ | FAAH | O00519 | 1/20 | 0.30 |
| ▸ | NAAA | Q02083 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2360226 | 0.84 | SIGMAR1 (0.33) | CA2CHKANPSR1CA12CA1 | |
| SCHEMBL8264195 | 0.83 | NPSR1 (0.33) | CA2NPSR1CA12CA1CA9 | |
| SCHEMBL2697578 | 0.83 | HTR2A (0.30) | CA2NPSR1CA12CA1CA9 | |
| SCHEMBL7407795 | 0.82 | MEN1 (0.43) | NPSR1CA12CA1CA9POLB | |
| SCHEMBL13590825 | 0.79 | LMNA (0.37) | FAAHNAAA | |
| SCHEMBL28637773 | 0.78 | CA12 (0.31) | CA2CA12CA1CA9 | |
| SCHEMBL7614938 | 0.78 | CASP2 (0.36) | SLC6A2SLC6A4SLC6A3ALDH1A1POLB | |
| SCHEMBL29381349 | 0.77 | FAAH (0.39) | ALDH1A1FAAH | |
| SCHEMBL20038268 | 0.77 | — | — | |
| SCHEMBL7048298 | 0.75 | HRH3 (0.36) | ALDH1A1POLB |
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-2021239058-A1 | FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF | 劲方医药科技(上海)有限公司 | 2021-12-02 | — | — | WO | disclosed |
| WO-2020224656-A1 | BISHETEROCYCLIC CARBONYL SUBSTITUTED DIHYDROPYRAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF | 劲方医药科技(上海)有限公司 | 2020-11-12 | — | — | WO | disclosed |