Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.36 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.36 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28919027 | 0.85 | ALDH1A1 (0.39) | PTGS2CYP3A4CES2HRH3MEN1 | |
| SCHEMBL8250269 | 0.84 | SLC18A3 (0.43) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL28598700 | 0.83 | GLA (0.41) | CA12CA1CA2CA9PTGS2 | |
| SCHEMBL28601637 | 0.83 | SMN1; SMN2 (0.43) | NPC1RAB9AHRH3CHRM2CHRM1 | |
| SCHEMBL28602234 | 0.83 | ALDH1A1 (0.46) | CA12CA1CA2CA9NPC1 | |
| SCHEMBL12504926 | 0.81 | GLA (0.39) | CA12CA1CA2CA9PTGS2 | |
| SCHEMBL28594542 | 0.80 | THRB (0.39) | NPC1RAB9ACYP3A4CHRM2CHRM1 | |
| SCHEMBL28606349 | 0.80 | KCNH2 (0.44) | MAPK1MEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL7215974 | 0.77 | PTGS2 (0.55) | CA12CA1CA2CA9PTGS2 | |
| SCHEMBL28609103 | 0.76 | PGR (0.42) | NPC1RAB9AHRH3MEN1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113200983-A | Compound with pyrrolopyridine structure, preparation method and medical application | 中国药科大学 | 2021-08-03 | — | — | CN | disclosed |