Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | NQO2 | P16083 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NMT1 | P30419 | 1/20 | 0.37 |
| ▸ | NCK1 | P16333 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL27533227 | 0.84 | ALDH1A1 (0.37) | ALDH1A1CYP3A4CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL3972295 | 0.84 | MBNL1 (0.38) | ALDH1A1CYP3A4CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL30908546 | 0.84 | ALDH1A1 (0.41) | ALDH1A1CYP3A4CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL25911642 | 0.84 | ALDH1A1 (0.41) | ALDH1A1CYP3A4CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL30908324 | 0.81 | NQO2 (0.44) | ALDH1A1NQO2KDM4EMAPTLMNA | |
| SCHEMBL14894752 | 0.79 | ALDH1A1 (0.41) | ALDH1A1CYP2C19CYP1A2KDM4EKMT2A | |
| SCHEMBL844428 | 0.77 | CYP1A2 (0.61) | ALDH1A1CYP1A2NQO2KDM4EKMT2A | |
| SCHEMBL31186677 | 0.76 | CYP1A2 (0.60) | CYP1A2NQO2KDM4ELMNARAB9A | |
| SCHEMBL862233 | 0.76 | CYP1A2 (0.60) | CYP1A2NQO2KDM4ELMNARAB9A | |
| SCHEMBL1133953 | 0.76 | NCK1 (0.64) | ALDH1A1CYP1A2NQO2KDM4EKMT2A |
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-116472269-A | Compositions and methods for treating muscular dystrophy | 加利福尼亚大学董事会 | 2023-07-21 | — | — | CN | disclosed |
| CN-106543143-B | A kind of novel FLT3 kinase inhibitor and application thereof | 合肥中科普瑞昇生物医药科技有限公司 | 2019-03-22 | — | — | CN | disclosed |