Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | MMP1 | P03956 | 1/20 | 0.50 |
| ▸ | MMP2 | P08253 | 1/20 | 0.50 |
| ▸ | MMP9 | P14780 | 1/20 | 0.50 |
| ▸ | MMP12 | P39900 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.46 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL17938470 | 0.87 | ALDH1A1 (0.48) | ALDH1A1MAPTRAB9ANPC1TSHR | |
| SCHEMBL28795747 | 0.86 | ALDH1A1 (0.44) | ALDH1A1MAPTRAB9AKMT2APOLB | |
| SCHEMBL10800307 | 0.85 | ALDH1A1 (0.56) | ALDH1A1MAPTRAB9AKMT2APOLB | |
| SCHEMBL27787123 | 0.85 | ALDH1A1 (0.56) | ALDH1A1MAPTRAB9AKMT2APOLB | |
| SCHEMBL2623832 | 0.83 | ALDH1A1 (0.46) | ALDH1A1MAPTRAB9AKMT2ANPC1 | |
| SCHEMBL24241929 | 0.83 | ALDH1A1 (0.51) | ALDH1A1MAPTRAB9AKMT2APOLB | |
| SCHEMBL27610406 | 0.83 | TAAR1 (0.47) | ALDH1A1MAPTRAB9AKMT2APOLB | |
| SCHEMBL20954406 | 0.83 | MAPT (0.56) | ALDH1A1MAPTRAB9AKMT2APOLB | |
| SCHEMBL15278891 | 0.82 | ALDH1A1 (0.50) | ALDH1A1MAPTRAB9AKMT2APOLB | |
| SCHEMBL28040723 | 0.82 | ALDH1A1 (0.43) | ALDH1A1MAPTRAB9AKMT2APOLB |
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-106478443-B | The method that difluoro Ya Jia Ji Phosphonium inner salts are used to synthesize β keto-amides as new ammonolysis reagent | 四川理工学院 | 2018-04-03 | — | — | CN | claimed |
| CN-106478443-A | The method that difluoro methylene inner salt is used for synthesizing β keto-amide as new ammonolysis reagent | 四川理工学院 | 2017-03-08 | — | — | CN | claimed |