Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA7 | P43166 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 12/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.40 |
| ▸ | BCHE | P06276 | 4/20 | 0.40 |
| ▸ | ACHE | P22303 | 4/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29433653 | 0.94 | CA1 (0.48) | CA1CA2CA7CA9CA12 | |
| SCHEMBL2332056 | 0.94 | CA1 (0.48) | CA1CA2CA7CA9CA12 | |
| SCHEMBL17529805 | 0.93 | PPARA (0.43) | CA1CA2CA7CA9CA12 | |
| SCHEMBL17529689 | 0.93 | PPARA (0.43) | CA1CA2CA7CA9CA12 | |
| SCHEMBL17529740 | 0.93 | PPARA (0.43) | CA1CA2CA7CA9CA12 | |
| SCHEMBL8164294 | 0.92 | CA1 (0.46) | CA1CA2CA7CA9CA12 | |
| SCHEMBL17529822 | 0.91 | ALOX5 (0.42) | CA1CA2CA7CA9CA12 | |
| Hydrochloric Acid SCHEMBL2827782 | 0.90 | CA1 (0.44) | CA1CA2CA7CA9CA12 | |
| SCHEMBL3799373 | 0.90 | CA1 (0.52) | CA1CA2CA7CA9CA12 | |
| SCHEMBL17529827 | 0.89 | CA1 (0.43) | CA1CA2CA7CA9CA12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0408155-A2 | Catalyst compositions for the preparation of polymers of carbon monoxide with olefinically unsaturated compounds | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1991-01-16 | — | — | EP | disclosed |