Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2354334 | 0.88 | HTR2A (0.42) | HTR2A | |
| SCHEMBL27964234 | 0.79 | HSD17B10 (0.42) | TDP1HSD17B10ESR1ESR2 | |
| SCHEMBL558875 | 0.76 | HTR2A (0.39) | HTR2A | |
| SCHEMBL150397 | 0.73 | SIGMAR1 (0.39) | HTR2A | |
| SCHEMBL29371697 | 0.73 | SIGMAR1 (0.39) | HTR2A | |
| SCHEMBL9053415 | 0.73 | HTR2A (0.41) | HTR2A | |
| SCHEMBL2046731 | 0.72 | MAPK1 (0.40) | HTR2A | |
| Bicarbonate SCHEMBL8752098 | 0.71 | HDAC9 (0.40) | — | |
| SCHEMBL2388621 | 0.70 | GABRA1 (0.39) | — | |
| SCHEMBL19419858 | 0.70 | CYP1A2 (0.40) | HTR2A |
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 |
|---|---|---|---|---|---|---|---|
| US-4316980-A | USING A QUATERNARY AMMONIUM SALT CATALYST | BAYER AKTIENGESELLSCHAFT (DE) | 1982-02-23 | — | — | US | disclosed |