Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 6/20 | 0.45 |
| ▸ | CA12 | O43570 | 5/20 | 0.45 |
| ▸ | CA9 | Q16790 | 5/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.45 |
| ▸ | MMP2 | P08253 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 5/20 | 0.43 |
| ▸ | CA3 | P07451 | 3/20 | 0.43 |
| ▸ | CA4 | P22748 | 3/20 | 0.43 |
| ▸ | CA6 | P23280 | 3/20 | 0.43 |
| ▸ | CA5A | P35218 | 3/20 | 0.43 |
| ▸ | CA7 | P43166 | 3/20 | 0.43 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.43 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MMP8 | P22894 | 3/20 | 0.41 |
| ▸ | MMP1 | P03956 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5685531 | 0.85 | ALDH1A1 (0.46) | CA2CA12CA9CA14MMP2 | |
| SCHEMBL3165483 | 0.83 | MMP2 (0.46) | CA2CA12CA9CA14MMP2 | |
| SCHEMBL28563051 | 0.83 | ENPP2 (0.47) | CA2CA12CA9ALDH1A1CYP3A4 | |
| SCHEMBL5685534 | 0.82 | CA2 (0.42) | CA2CA12CA9CA14MMP2 | |
| SCHEMBL28982279 | 0.81 | TSHR (0.45) | CA2CA12CA9CA14MMP2 | |
| SCHEMBL28582804 | 0.81 | MMP1 (0.41) | CA2MMP2CA1MEN1KMT2A | |
| SCHEMBL21723395 | 0.80 | PGR (0.41) | MMP2ALDH1A1MEN1KMT2AMMP8 | |
| SCHEMBL28982317 | 0.77 | CA2 (0.49) | CA2CA12CA9CA14MMP2 | |
| Butane SCHEMBL3009709 | 0.77 | MMP2 (0.39) | CA2CA12CA9CA14MMP2 | |
| SCHEMBL28864047 | 0.76 | ALDH1A1 (0.54) | CA2CA12CA9CA14MMP2 |
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-112930345-A | Novel halo- (3- (phenylsulfonyl) prop-1-ene) pyridine derivatives and uses thereof | 韩国科学技术研究院 | 2021-06-08 | — | — | CN | disclosed |
| WO-2020036474-A1 | NOVEL HALO-(3-(PHENYLSULFONYL)PROP-1-ENYL)PYRIDINE DERIVATIVE AND USE THEREOF | 한국과학기술연구원 | 2020-02-20 | — | — | WO | disclosed |