Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 6/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.38 |
| ▸ | PRKDC | P78527 | 1/20 | 0.36 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24123250 | 0.94 | CYP1A1 (0.39) | CYP1A1CYP1B1PRKDCLIMK1TDP1 | |
| SCHEMBL24193171 | 0.93 | CYP1A1 (0.39) | CYP1A1CYP1B1PRKDCLIMK1TDP1 | |
| SCHEMBL24193233 | 0.93 | L3MBTL1 (0.35) | CYP1A1CYP1B1PRKDCTDP1L3MBTL1 | |
| SCHEMBL24193170 | 0.93 | CYP1A1 (0.38) | CYP1A1CYP1B1LIMK1TDP1L3MBTL1 | |
| SCHEMBL23822040 | 0.91 | CYP1A1 (0.37) | CYP1A1CYP1B1PRKDCLIMK1TDP1 | |
| SCHEMBL23823761 | 0.91 | PRKDC (0.40) | PRKDCLIMK1TDP1L3MBTL1ALDH1A1 | |
| SCHEMBL25459193 | 0.91 | PRKDC (0.40) | PRKDCLIMK1TDP1L3MBTL1ALDH1A1 | |
| SCHEMBL23822278 | 0.90 | CYP1A1 (0.35) | CYP1A1CYP1B1PRKDCLIMK1TDP1 | |
| SCHEMBL27391642 | 0.90 | CYP1A1 (0.37) | CYP1A1CYP1B1LIMK1TDP1L3MBTL1 | |
| SCHEMBL27390949 | 0.90 | CYP1A1 (0.37) | CYP1A1CYP1B1LIMK1TDP1L3MBTL1 |
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 |