Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 3/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19850353 | 1.00 | ALDH1A1 (0.53) | ALDH1A1TDP1MAPK1IDO1CYP2A6 | |
| SCHEMBL18745677 | 0.93 | ALDH1A1 (0.64) | ALDH1A1TDP1MAPK1IDO1CYP2A6 | |
| SCHEMBL19313854 | 0.89 | ALDH1A1 (0.42) | ALDH1A1TDP1MAPK1IDO1CYP2A6 | |
| SCHEMBL18481778 | 0.88 | CYP2A6 (0.57) | ALDH1A1TDP1MAPK1IDO1CYP2A6 | |
| SCHEMBL24870980 | 0.87 | ALDH1A1 (0.71) | ALDH1A1TDP1MAPK1CA2MMP2 | |
| SCHEMBL21017486 | 0.85 | HTR6 (0.50) | ALDH1A1TDP1CA2MMP2CA12 | |
| SCHEMBL18401049 | 0.85 | HTR6 (0.50) | ALDH1A1TDP1CA2MMP2CA12 | |
| SCHEMBL3259521 | 0.82 | HTR6 (0.53) | ALDH1A1TDP1CA2MMP2CA12 | |
| SCHEMBL3191551 | 0.79 | CA2 (0.52) | ALDH1A1TDP1MAPK1IDO1CA2 | |
| SCHEMBL16487 | 0.79 | HTR6 (0.70) | ALDH1A1TDP1MAPK1IDO1CA2 |
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-2020040585-A1 | COMPOUND, COATING COMPOSITION COMPRISING SAME, ORGANIC LIGHT-EMITTING ELEMENT USING SAME, AND MANUFACTURING METHOD THEREFOR | 주식회사 엘지화학 | 2020-02-27 | — | — | WO | disclosed |