Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 8/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 7/20 | 0.37 |
| ▸ | MAPT | P10636 | 6/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.33 |
| ▸ | PRKDC | P78527 | 2/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24192909 | 0.95 | CYP1A1 (0.38) | CYP1A1CYP1B1MAPTALDH1A1TSHR | |
| SCHEMBL24239123 | 0.93 | CYP1A1 (0.36) | CYP1A1CYP1B1MAPTALDH1A1TSHR | |
| SCHEMBL23946655 | 0.91 | CYP1A1 (0.34) | CYP1A1CYP1B1MAPTALDH1A1TSHR | |
| SCHEMBL23947695 | 0.91 | CYP1A1 (0.34) | CYP1A1CYP1B1MAPTALDH1A1TSHR | |
| SCHEMBL23819376 | 0.89 | PRKDC (0.38) | MAPTALDH1A1TSHRKDM4EHPGD | |
| SCHEMBL26712005 | 0.89 | CYP1A1 (0.38) | CYP1A1CYP1B1MAPTALDH1A1TSHR | |
| SCHEMBL23819368 | 0.89 | CYP1A1 (0.38) | CYP1A1CYP1B1MAPTALDH1A1TSHR | |
| SCHEMBL23819611 | 0.88 | MAPT (0.36) | CYP1A1MAPTALDH1A1TSHRKDM4E | |
| SCHEMBL25458990 | 0.88 | LIMK1 (0.35) | MAPTALDH1A1TSHRKDM4EHPGD | |
| SCHEMBL25514787 | 0.88 | LIMK1 (0.33) | CYP1A1CYP1B1MAPTALDH1A1TSHR |
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-2021182833-A1 | NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2021-09-16 | — | — | WO | disclosed |