Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 3/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PRKDC | P78527 | 3/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.32 |
| ▸ | PIK3CB | P42338 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24029848 | 0.93 | CYP1A1 (0.35) | CYP1A1CYP1B1ALDH1A1MAPTKDM4E | |
| SCHEMBL25132183 | 0.90 | CYP1A1 (0.36) | CYP1A1CYP1B1ALDH1A1MAPTKDM4E | |
| SCHEMBL25132092 | 0.89 | CYP1A1 (0.35) | CYP1A1CYP1B1PRKDCCYP1A2ALOX5 | |
| SCHEMBL22403309 | 0.88 | ALOX5 (0.38) | ALDH1A1MAPTKDM4ETP53HPGD | |
| SCHEMBL23823711 | 0.88 | PRKDC (0.38) | ALDH1A1MAPTKDM4EHPGDTSHR | |
| SCHEMBL23819427 | 0.88 | PRKDC (0.40) | ALDH1A1MAPTKDM4ETP53HPGD | |
| SCHEMBL24239122 | 0.87 | CYP1A1 (0.37) | CYP1A1CYP1B1ALDH1A1MAPTKDM4E | |
| SCHEMBL23820595 | 0.87 | CYP1A1 (0.37) | CYP1A1CYP1B1ALDH1A1MAPTKDM4E | |
| SCHEMBL23819372 | 0.87 | CYP1A1 (0.37) | CYP1A1CYP1B1ALDH1A1MAPTKDM4E | |
| SCHEMBL23819368 | 0.87 | CYP1A1 (0.38) | CYP1A1CYP1B1ALDH1A1MAPTKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-20220037594-A1 | COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF | DUK SAN NEOLUX CO., LTD. (KR) | 2022-02-03 | — | — | US | disclosed |