Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.47 |
| ▸ | PIM1 | P11309 | 1/20 | 0.47 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.47 |
| ▸ | CASP6 | P55212 | 2/20 | 0.47 |
| ▸ | CASP8 | Q14790 | 2/20 | 0.47 |
| ▸ | NSD2 | O96028 | 1/20 | 0.47 |
| ▸ | CASP3 | P42574 | 1/20 | 0.47 |
| ▸ | CASP7 | P55210 | 1/20 | 0.47 |
| ▸ | CASP9 | P55211 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28607273 | 0.89 | KMT2A (0.45) | HTTMEN1KMT2ATSHRKDM4E | |
| SCHEMBL28607669 | 0.87 | PLK1 (0.47) | HTTCHEK1PIM1MAPK8CLK4 | |
| SCHEMBL28281092 | 0.83 | HTT (0.50) | HTTCHEK1PIM1MAPK8CLK4 | |
| SCHEMBL8034169 | 0.80 | PTPN1 (0.50) | MEN1KMT2ATSHRPTPN1ALDH1A1 | |
| SCHEMBL28605602 | 0.80 | PTPN1 (0.51) | CASP6CASP8NSD2CASP3CASP7 | |
| SCHEMBL8839362 | 0.79 | RARA (0.50) | HTTCASP6CASP8NSD2CASP3 | |
| SCHEMBL1949545 | 0.79 | TSHR (0.47) | MEN1KMT2ATSHRKDM4EALDH1A1 | |
| SCHEMBL7616834 | 0.74 | LMNA (0.50) | HTTMEN1KMT2ATSHRKDM4E | |
| SCHEMBL31393778 | 0.74 | PAX8 (0.56) | HTTCASP3MEN1KMT2ATSHR | |
| SCHEMBL7614229 | 0.74 | MTNR1A (0.48) | HTTMEN1KMT2ATSHRKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-113248399-A | O-amino aromatic amide derivative and preparation method and application thereof | 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) | 2021-08-13 | — | — | CN | disclosed |