Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 8/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 6/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28528156 | 1.00 | KMT2A (0.48) | KMT2AALDH1A1HPGDHTTMEN1 | |
| SCHEMBL18428129 | 0.92 | KMT2A (0.48) | KMT2AALDH1A1HPGDHTTMEN1 | |
| SCHEMBL18428128 | 0.92 | KMT2A (0.48) | KMT2AALDH1A1HPGDHTTMEN1 | |
| SCHEMBL1688915 | 0.90 | AAK1 (0.56) | KMT2AALDH1A1MEN1MAPTSMN1; SMN2 | |
| SCHEMBL18472302 | 0.87 | KMT2A (0.47) | KMT2AALDH1A1HPGDHTTMEN1 | |
| SCHEMBL18026002 | 0.85 | SMN1; SMN2 (0.51) | ALDH1A1HPGDCYP1A2CYP2C19CYP3A4 | |
| SCHEMBL28515406 | 0.83 | AAK1 (0.49) | CYP2D6MAPTSMN1; SMN2AAK1 | |
| SCHEMBL28515405 | 0.83 | AAK1 (0.49) | CYP2D6MAPTSMN1; SMN2AAK1 | |
| SCHEMBL28528152 | 0.82 | KMT2A (0.50) | KMT2AALDH1A1HTTMEN1MAPT | |
| SCHEMBL28528149 | 0.82 | KMT2A (0.50) | KMT2AALDH1A1HTTMEN1MAPT |
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 |