Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 6/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL28526991 | 1.00 | KMT2A (0.42) | KMT2AALDH1A1MAPTPPARGPPARA | |
| SCHEMBL18428092 | 0.92 | PPARG (0.43) | KMT2AALDH1A1MAPTPPARGPPARA | |
| SCHEMBL18428095 | 0.92 | PPARG (0.43) | KMT2AALDH1A1MAPTPPARGPPARA | |
| SCHEMBL18472362 | 0.86 | KMT2A (0.43) | KMT2AALDH1A1MAPTMEN1GAA | |
| SCHEMBL28526454 | 0.83 | CYP2D6 (0.41) | ALDH1A1MAPTGAAALOX5ADRB2 | |
| SCHEMBL28526456 | 0.83 | CYP2D6 (0.41) | ALDH1A1MAPTGAAALOX5ADRB2 | |
| SCHEMBL28528158 | 0.78 | KMT2A (0.48) | KMT2AALDH1A1MAPTPPARGPPARA | |
| SCHEMBL28528156 | 0.78 | KMT2A (0.48) | KMT2AALDH1A1MAPTPPARGPPARA | |
| SCHEMBL28521057 | 0.77 | AAK1 (0.35) | KMT2AALDH1A1MAPTMEN1GAA | |
| SCHEMBL28521054 | 0.77 | AAK1 (0.35) | KMT2AALDH1A1MAPTMEN1GAA |
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-108026026-B | Beta-substituted beta-amino acids and analogs as chemotherapeutic agents and uses thereof | 夸德里加生物科学公司 | 2021-02-09 | — | — | CN | disclosed |