Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 6/20 | 0.39 |
| ▸ | CA1 | P00915 | 5/20 | 0.39 |
| ▸ | MMP1 | P03956 | 5/20 | 0.39 |
| ▸ | MMP2 | P08253 | 5/20 | 0.39 |
| ▸ | MMP9 | P14780 | 5/20 | 0.39 |
| ▸ | MMP8 | P22894 | 5/20 | 0.39 |
| ▸ | MMP13 | P45452 | 5/20 | 0.39 |
| ▸ | F2 | P00734 | 4/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 4/20 | 0.35 |
| ▸ | PRSS2 | P07478 | 4/20 | 0.35 |
| ▸ | PRSS3 | P35030 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29102366 | 0.97 | CA2 (0.41) | CA2CA1MMP1MMP2MMP9 | |
| SCHEMBL28057525 | 0.92 | ALDH1A1 (0.36) | CA2CA1MMP1MMP2MMP9 | |
| SCHEMBL575579 | 0.83 | CA1 (0.33) | CA2CA1MMP1MMP2MMP9 | |
| SCHEMBL21260277 | 0.82 | ALDH1A1 (0.33) | ALDH1A1L3MBTL1 | |
| SCHEMBL27845527 | 0.80 | ALDH1A1 (0.39) | ALDH1A1L3MBTL1 | |
| 1,4-Butanediol SCHEMBL576385 | 0.80 | ATR (0.34) | — | |
| 1,3-Propanediol SCHEMBL575596 | 0.80 | ATR (0.34) | — | |
| SCHEMBL22762228 | 0.78 | ALDH1A1 (0.31) | ALDH1A1L3MBTL1 | |
| Propylene Glycol SCHEMBL576345 | 0.77 | TDP1 (0.39) | CA2CA1MMP1MMP2MMP9 | |
| Perflubutane SCHEMBL4458683 | 0.76 | CA2 (0.50) | CA2CA1MMP1MMP2MMP9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020055059-A1 | ORGANIC LIGHT-EMITTING DIODE | 주식회사 엘지화학 | 2020-03-19 | — | — | WO | disclosed |