Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | KDM5A | P29375 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | TTR | P02766 | 2/20 | 0.40 |
| ▸ | MAOA | P21397 | 7/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | PGAM1 | P18669 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | PON1 | P27169 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12181806 | 0.81 | PON1 (0.45) | TTRMAOANPC1RAB9APGAM1 | |
| SCHEMBL20390562 | 0.81 | ESR1 (0.46) | ESR1KDM5AESR2TTRMAOA | |
| SCHEMBL22171904 | 0.80 | MAOA (0.60) | TTRMAOANPC1RAB9APGAM1 | |
| SCHEMBL17752290 | 0.80 | TTR (0.44) | ESR1KDM5AESR2TTRMAOA | |
| SCHEMBL28874576 | 0.79 | PON1 (0.42) | TTRNPC1RAB9APGAM1MEN1 | |
| SCHEMBL26936274 | 0.77 | PON1 (0.40) | ESR1KDM5AESR2TTRMAOA | |
| SCHEMBL21585300 | 0.76 | MAOA (0.63) | KDM5AMAOANPC1PGAM1MEN1 | |
| SCHEMBL21468281 | 0.75 | KMT2A (0.43) | TTRMAOANPC1RAB9AMEN1 | |
| SCHEMBL30952794 | 0.75 | KIF11 (0.38) | ESR2MAOAMEN1KMT2APON1 | |
| SCHEMBL25671066 | 0.74 | CDC14B (0.39) | ESR1KDM5AESR2NPC1RAB9A |
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-2019228430-A1 | KETONE-CONTAINING COMPOUND AND USE THEREOF IN ORGANIC ELECTROLUMINESCENT DEVICE | 江苏三月光电科技有限公司 (CN) | 2019-12-05 | — | — | WO | disclosed |