Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | HPGD | P15428 | 1/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.58 |
| ▸ | USP2 | O75604 | 2/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | CASP1 | P29466 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | CASP7 | P55210 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | AR | P10275 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28051296 | 0.98 | ALDH1A1 (0.64) | ALDH1A1HPGDKDM4EUSP2MEN1 | |
| SCHEMBL6052646 | 0.98 | ALDH1A1 (0.64) | ALDH1A1HPGDKDM4EUSP2MEN1 | |
| SCHEMBL28051203 | 0.95 | ALDH1A1 (0.60) | ALDH1A1HPGDKDM4EUSP2MEN1 | |
| SCHEMBL17502033 | 0.85 | ALDH1A1 (0.56) | ALDH1A1HPGDKDM4EUSP2AR | |
| SCHEMBL17502031 | 0.85 | ALDH1A1 (0.56) | ALDH1A1HPGDKDM4EUSP2AR | |
| SCHEMBL17101854 | 0.83 | KDM4E (0.66) | ALDH1A1HPGDKDM4EUSP2MEN1 | |
| SCHEMBL28051392 | 0.83 | KDM4E (0.65) | ALDH1A1HPGDKDM4EUSP2MEN1 | |
| SCHEMBL27434524 | 0.81 | ALDH1A1 (0.66) | ALDH1A1HPGDAR | |
| SCHEMBL27404855 | 0.81 | ALDH1A1 (0.62) | ALDH1A1HPGDAR | |
| SCHEMBL12433115 | 0.81 | ALDH1A1 (0.66) | ALDH1A1HPGDGAAMAPTAR |
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-106674098-B | N- (3- cyano -4- alkoxyl phenyl) pyridine carboxamides and application thereof | 中国医科大学 | 2019-07-02 | — | — | CN | disclosed |
| CN-105294584-A | 1-substituted phenyl-1H-1,2,3-triazole compound as well as preparation method and application thereof | UNIV CHINA MEDICAL | 2016-02-03 | — | — | CN | disclosed |