Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.57 |
| ▸ | CA2 | P00918 | 4/20 | 0.57 |
| ▸ | CA12 | O43570 | 3/20 | 0.57 |
| ▸ | CA9 | Q16790 | 3/20 | 0.57 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.57 |
| ▸ | CA7 | P43166 | 2/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 5/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | CASP3 | P42574 | 1/20 | 0.47 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.47 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL13876418 | 1.00 | CA1 (0.57) | CA1CA2CA12CA9CA14 | |
| SCHEMBL4333209 | 1.00 | CA1 (0.57) | CA1CA2CA12CA9CA14 | |
| SCHEMBL1516780 | 1.00 | CA1 (0.57) | CA1CA2CA12CA9CA14 | |
| SCHEMBL4408604 | 0.85 | CA1 (0.66) | CA1CA2CA12CA9CA14 | |
| SCHEMBL14487959 | 0.85 | CA1 (0.59) | CA1CA2CA12CA9CA14 | |
| SCHEMBL84424 | 0.85 | CA1 (0.59) | CA1CA2CA12CA9CA14 | |
| SCHEMBL1765715 | 0.84 | CA1 (0.53) | CA1CA2CA12CA9CA14 | |
| SCHEMBL10610953 | 0.83 | CA1 (0.57) | CA1CA2CA12CA9CA14 | |
| SCHEMBL4640174 | 0.83 | CA1 (0.61) | CA1CA2CA12CA9CA14 | |
| SCHEMBL21147155 | 0.82 | CA1 (0.52) | CA1CA2CA12CA9CA14 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113105305-B | Method for synthesizing secondary alcohol in aqueous phase | 上海橡实化学有限公司 | 2022-03-29 | — | — | CN | disclosed |
| CN-113105305-A | Method for synthesizing secondary alcohol in aqueous phase | 上海橡实化学有限公司 | 2021-07-13 | — | — | CN | disclosed |