Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 3/20 | 0.46 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 5/20 | 0.43 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28590304 | 0.87 | PTPN1 (0.59) | PTPN1PTPN2ALDH1A1TP53CYP3A4 | |
| SCHEMBL28596598 | 0.87 | PTPN1 (0.46) | PTPN1PTPN2ALDH1A1CYP3A4MAOB | |
| SCHEMBL28988631 | 0.80 | PGR (0.46) | PTPN1PTPN2ALDH1A1MAPTKDM4E | |
| SCHEMBL30367335 | 0.80 | PGR (0.46) | PTPN1PTPN2ALDH1A1MAPTKDM4E | |
| SCHEMBL28596566 | 0.78 | MAOA (0.48) | PTPN1PTPN2ALDH1A1TP53CYP3A4 | |
| SCHEMBL28586119 | 0.77 | PTPN1 (0.42) | PTPN1PTPN2ALDH1A1TP53CYP3A4 | |
| SCHEMBL28988633 | 0.76 | PGR (0.45) | PTPN1PTPN2ALDH1A1MAPTKDM4E | |
| SCHEMBL28988609 | 0.76 | PTPN1 (0.59) | PTPN1PTPN2ALDH1A1TP53CYP3A4 | |
| SCHEMBL28600756 | 0.75 | MAPT (0.45) | PTPN1ALDH1A1CYP3A4MAPTMAPK1 | |
| SCHEMBL13917260 | 0.74 | ALDH1A1 (0.43) | PTPN1ALDH1A1CYP3A4KDM4EMAOB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112898259-B | Method for preparing 3-substituted chromanone through nonmetal catalytic hydrogenation | 中国科学院化学研究所 | 2022-05-17 | — | — | CN | disclosed |
| CN-112898259-A | Method for preparing 3-substituted chromanone through nonmetal catalytic hydrogenation | 中国科学院化学研究所 | 2021-06-04 | — | — | CN | disclosed |