Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 5/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.32 |
| ▸ | CES2 | O00748 | 2/20 | 0.32 |
| ▸ | CES1 | P23141 | 2/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.32 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.32 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.32 |
| ▸ | EHMT1 | Q9H9B1 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 2/20 | 0.30 |
| ▸ | CA2 | P00918 | 2/20 | 0.30 |
| ▸ | CA9 | Q16790 | 2/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL304911 | 0.97 | ALDH1A1 (0.39) | ALDH1A1TDP1TSHRTRPA1CES2 | |
| Bromide SCHEMBL9723310 | 0.93 | ALDH1A1 (0.37) | ALDH1A1TDP1TSHRTRPA1CES2 | |
| SCHEMBL15466997 | 0.93 | ALDH1A1 (0.37) | ALDH1A1TDP1TSHRTRPA1CES2 | |
| SCHEMBL10277371 | 0.93 | ALDH1A1 (0.37) | ALDH1A1TDP1TSHRTRPA1CES2 | |
| SCHEMBL28738751 | 0.93 | ALDH1A1 (0.37) | ALDH1A1TDP1TSHRTRPA1CES2 | |
| SCHEMBL28993879 | 0.93 | ALDH1A1 (0.37) | ALDH1A1TDP1TSHRTRPA1CES2 | |
| SCHEMBL11771096 | 0.76 | ALDH1A1 (0.39) | ALDH1A1TDP1TSHRTRPA1BBOX1 | |
| SCHEMBL9723314 | 0.76 | ALDH1A1 (0.39) | ALDH1A1TDP1TSHRTRPA1BBOX1 | |
| SCHEMBL28694359 | 0.73 | ALDH1A1 (0.36) | ALDH1A1TDP1MAPK1 | |
| SCHEMBL201090 | 0.72 | ALDH1A1 (0.38) | ALDH1A1TDP1TSHRBBOX1EHMT2 |
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-104628510-B | 2,6,6,8 four replacement 6H benzos [cd] pyrene compounds and the organic electroluminescence device containing which | 北京鼎材科技有限公司 | 2017-03-29 | — | — | CN | disclosed |
| CN-104628510-A | 2,6,6,8-tetra-substituted-6H-benzo[cd]pyrene compound and organic electroluminescence device containing same | BEIJING ETERNAL MATERIAL TECHNOLOGY CO LTD | 2015-05-20 | — | — | CN | disclosed |