Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.61 |
| ▸ | CA1 | P00915 | 3/20 | 0.61 |
| ▸ | CA12 | O43570 | 2/20 | 0.61 |
| ▸ | CA9 | Q16790 | 2/20 | 0.61 |
| ▸ | CA3 | P07451 | 1/20 | 0.61 |
| ▸ | TYR | P14679 | 1/20 | 0.61 |
| ▸ | DRD1 | P21728 | 1/20 | 0.61 |
| ▸ | CA4 | P22748 | 1/20 | 0.61 |
| ▸ | CA6 | P23280 | 1/20 | 0.61 |
| ▸ | CA5A | P35218 | 1/20 | 0.61 |
| ▸ | CA7 | P43166 | 1/20 | 0.61 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.61 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.61 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.55 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CD69 | Q07108 | 1/20 | 0.42 |
| ▸ | CPT1B | Q92523 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1878165 | 0.92 | TSHR (0.55) | CA2CA1CA12CA9CA3 | |
| Methane SCHEMBL3628336 | 0.90 | TSHR (0.52) | CA2CA1CA12CA9CA3 | |
| Hydrochloric Acid SCHEMBL9459198 | 0.90 | TSHR (0.52) | CA2CA1CA12CA9CA3 | |
| Ethane SCHEMBL4422870 | 0.88 | TSHR (0.50) | CA2CA1CA12CA9CA3 | |
| SCHEMBL10651763 | 0.86 | TRPA1 (0.64) | CA2CA1CA12CA9CA3 | |
| SCHEMBL632310 | 0.85 | CYP3A4 (0.56) | CA2CA1CA12CA9CA3 | |
| Paraben SCHEMBL6755103 | 0.83 | CA2 (0.59) | CA2CA1CA12CA9CA3 | |
| Methylhydroquinone SCHEMBL8945642 | 0.83 | KMT2A (0.46) | CA2CA1CA12CA9CA3 | |
| SCHEMBL11437168 | 0.81 | PARP10 (0.55) | CA2CA1CA12CA9SRD5A2 | |
| SCHEMBL5506608 | 0.79 | CA2 (0.73) | CA2CA1CA12CA9CA3 |
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-5569727-A | REACTING A DIEPOXIDE WITH A DIISOCYANATE IN PRESENCE OF POLYMERIZATION CATALYST WHICH IS A COMPLEX OF LEWIS ACID AND LEWIS BASE AND BAKING | EUROPEAISCHE WIRTSCHAFTSGEMEINSCHAFT (LU) | 1996-10-29 | — | — | US | disclosed |