Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.44 |
| ▸ | CA2 | P00918 | 5/20 | 0.44 |
| ▸ | CA12 | O43570 | 3/20 | 0.44 |
| ▸ | CA9 | Q16790 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.36 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.36 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.36 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9533605 | 0.87 | EPHX1 (0.56) | EPHX1EPHX2 | |
| SCHEMBL9084085 | 0.87 | CA1 (0.37) | CA1CA2CA12CA9KDM4E | |
| SCHEMBL9532822 | 0.87 | EPHX1 (0.56) | EPHX1EPHX2 | |
| SCHEMBL11098408 | 0.87 | EPHX1 (0.56) | EPHX1EPHX2 | |
| SCHEMBL10341251 | 0.87 | EPHX1 (0.56) | EPHX1EPHX2 | |
| SCHEMBL3617139 | 0.87 | EPHX1 (0.56) | EPHX1EPHX2 | |
| SCHEMBL28066445 | 0.84 | EPHX1 (0.54) | EPHX1EPHX2 | |
| SCHEMBL11515824 | 0.83 | — | — | |
| SCHEMBL742718 | 0.83 | — | — | |
| SCHEMBL9452590 | 0.82 | ALDH1A1 (0.44) | MAPK1ALDH1A1SMN1; SMN2 |
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-111320562-B | Method for producing isothiocyanate | 旭化成株式会社 | 2022-08-16 | — | — | CN | disclosed |