Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | TP53 | P04637 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | PRKDC | P78527 | 2/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24030990 | 0.95 | ALDH1A1 (0.39) | ALDH1A1HSD17B10KDM4ETP53SMN1; SMN2 | |
| SCHEMBL24030601 | 0.92 | TSHR (0.38) | ALDH1A1HSD17B10KDM4ETP53SMN1; SMN2 | |
| SCHEMBL24586660 | 0.91 | ALDH1A1 (0.39) | ALDH1A1HSD17B10KDM4ETP53SMN1; SMN2 | |
| SCHEMBL24030593 | 0.91 | ALDH1A1 (0.40) | ALDH1A1HSD17B10KDM4ETP53SMN1; SMN2 | |
| SCHEMBL24030647 | 0.90 | ALDH1A1 (0.35) | ALDH1A1HSD17B10KDM4ETP53SMN1; SMN2 | |
| SCHEMBL25648408 | 0.90 | CYP1A1 (0.38) | ALDH1A1HSD17B10KDM4ETP53SMN1; SMN2 | |
| SCHEMBL24585524 | 0.86 | ALDH1A1 (0.43) | ALDH1A1HSD17B10KDM4ETP53SMN1; SMN2 | |
| SCHEMBL23819543 | 0.86 | ALDH1A1 (0.37) | ALDH1A1HSD17B10KDM4ETP53SMN1; SMN2 | |
| SCHEMBL24585561 | 0.85 | ALDH1A1 (0.40) | ALDH1A1HSD17B10KDM4ETP53SMN1; SMN2 | |
| SCHEMBL23819586 | 0.85 | ALDH1A1 (0.36) | ALDH1A1HSD17B10KDM4ETP53SMN1; SMN2 |
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-2021230690-A1 | NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME | 주식회사 엘지화학 | 2021-11-18 | — | — | WO | disclosed |