Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | POLQ | O75417 | 3/20 | 0.50 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.50 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MLYCD | O95822 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | FAAH | O00519 | 1/20 | 0.44 |
| ▸ | PHGDH | O43175 | 1/20 | 0.44 |
| ▸ | MGLL | Q99685 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14718870 | 0.89 | NR1H3 (0.45) | KMT2AMEN1ALDH1A1POLQNR1H3 | |
| SCHEMBL5418517 | 0.86 | POLQ (0.49) | KMT2AMEN1ALDH1A1POLQNR1H3 | |
| SCHEMBL13830840 | 0.84 | POLQ (0.47) | KMT2AMEN1ALDH1A1POLQNR1H3 | |
| SCHEMBL21477233 | 0.83 | MAPT (0.46) | KMT2AMEN1ALDH1A1POLQNR1H3 | |
| SCHEMBL28846030 | 0.82 | POLQ (0.46) | KMT2AMEN1ALDH1A1POLQNR1H3 | |
| SCHEMBL9790442 | 0.82 | NPC1 (0.47) | KMT2AMEN1ALDH1A1NR1H3NR1H2 | |
| SCHEMBL12203987 | 0.82 | SMN1; SMN2 (0.46) | KMT2AMEN1ALDH1A1MLYCDSMN1; SMN2 | |
| SCHEMBL26343929 | 0.82 | MAPT (0.45) | KMT2AMEN1ALDH1A1NR1H3NR1H2 | |
| SCHEMBL9770531 | 0.81 | NR1H3 (0.49) | KMT2AMEN1ALDH1A1POLQNR1H3 | |
| SCHEMBL28057393 | 0.81 | POLQ (0.53) | KMT2AMEN1ALDH1A1POLQNR1H3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118878402-A | Preparation method of trifluoromethyl ketone compound based on palladium catalysis of C-N bond cleavage | 大连理工大学 | 2024-11-01 | — | — | CN | claimed |
| CN-118878402-A | Preparation method of trifluoromethyl ketone compound based on palladium catalysis of C-N bond cleavage | 大连理工大学 | 2024-11-01 | — | — | CN | disclosed |
| CN-109369506-B | Method for selectively N-methylating secondary amide | 广东石油化工学院 | 2022-05-31 | — | — | CN | disclosed |
| WO-2008121065-A1 | NOVEL PYRROLIDINE DERIVATIVES AS ANTAGONISTS OF THE CHEMOKINE RECEPTOR | ASTRAZENECA AB (SE) | 2008-10-09 | — | — | WO | disclosed |