Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.56 |
| ▸ | CA1 | P00915 | 2/20 | 0.56 |
| ▸ | CA2 | P00918 | 2/20 | 0.56 |
| ▸ | CA7 | P43166 | 2/20 | 0.56 |
| ▸ | CA9 | Q16790 | 2/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.56 |
| ▸ | ESR1 | P03372 | 1/20 | 0.56 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 4/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.53 |
| ▸ | HTT | P42858 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 6/20 | 0.50 |
| ▸ | HPGD | P15428 | 5/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.50 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | CASP3 | P42574 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL2590384 | 0.85 | CA1 (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5471491 | 0.81 | CYP4F2 (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9038961 | 0.81 | CA1 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28510538 | 0.80 | CA1 (0.66) | CA12CA1CA2CA7CA9 | |
| SCHEMBL70217 | 0.80 | CA1 (0.66) | CA12CA1CA2CA7CA9 | |
| SCHEMBL87450 | 0.80 | CA1 (0.83) | CA12CA1CA2CA7CA9 | |
| SCHEMBL147669 | 0.79 | MEN1 (0.67) | CA12CA1CA2CA7CA9 | |
| SCHEMBL11310857 | 0.78 | CA12 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29504635 | 0.78 | CA1 (0.79) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7746905 | 0.78 | CA1 (0.79) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105985280-B | Difluoro methylthiolation reagent, preparation method and application | 深圳市中科邦奇氟医学材料有限公司 | 2019-04-26 | — | — | CN | disclosed |
| CN-105985280-A | Difluoromethylthiolation reagent, and preparation method and application thereof | 中国科学院上海有机化学研究所 | 2016-10-05 | — | — | CN | disclosed |