Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.57 |
| ▸ | CA1 | P00915 | 2/20 | 0.57 |
| ▸ | CA2 | P00918 | 2/20 | 0.57 |
| ▸ | CA7 | P43166 | 2/20 | 0.57 |
| ▸ | CA9 | Q16790 | 2/20 | 0.57 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.50 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | HPGD | P15428 | 5/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL15830744 | 0.86 | CA12 (0.67) | CA12CA1CA2CA7CA9 | |
| SCHEMBL301812 | 0.86 | TSHR (0.55) | CA12CA1CA2CA7CA9 | |
| SCHEMBL11055735 | 0.86 | TSHR (0.55) | CA12CA1CA2CA7CA9 | |
| SCHEMBL19242432 | 0.85 | CA12 (0.50) | CA12CA1CA2CA7CA9 | |
| Hydrochloric Acid SCHEMBL28219343 | 0.85 | TSHR (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL26493679 | 0.85 | CA12 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27474404 | 0.85 | ALDH1A1 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27474399 | 0.85 | CA12 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL11050557 | 0.82 | CA12 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1686189 | 0.82 | CA12 (0.47) | CA12CA1CA2CA7CA9 |
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-4486588-A | Cyclohexadiene carboxylate insecticide intermediates | FMC CORPORATION (US) | 1984-12-04 | — | — | US | disclosed |