Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP12 | P39900 | 1/20 | 0.39 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28670520 | 0.91 | CES1 (0.42) | HDAC1HDAC3HDAC4HDAC6TRPA1 | |
| SCHEMBL28929352 | 0.85 | TRPA1 (0.50) | LMNAGAATRPA1 | |
| SCHEMBL28654237 | 0.84 | TRPA1 (0.38) | LMNAGAAHTTHDAC4HDAC6 | |
| SCHEMBL28658852 | 0.83 | TRPA1 (0.37) | LMNAGAATSHRMAPTSMN1; SMN2 | |
| SCHEMBL28670280 | 0.83 | MAOB (0.43) | BACE1MAPTTRPA1 | |
| SCHEMBL28653905 | 0.81 | CYP1A2 (0.38) | L3MBTL1 | |
| SCHEMBL28664225 | 0.81 | RXRA (0.36) | LMNAGAATSHRHTTMAPT | |
| SCHEMBL4439221 | 0.78 | MAOB (0.41) | TSHRHDAC1HDAC3HDAC4HDAC6 | |
| SCHEMBL28422518 | 0.78 | MMP12 (0.38) | MMP12ABCC4LMNAGAATSHR | |
| SCHEMBL29718860 | 0.77 | MAOB (0.40) | MMP12LMNAHTT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113354586-B | Preparation method of trifluoromethyl-containing pyrazolone compound | 大连理工大学 | 2022-06-10 | — | — | CN | disclosed |
| CN-113717092-A | Preparation method of trifluoromethyl-containing 3-substituted-2-indolinone compound | 美罗药业股份有限公司 | 2021-11-30 | — | — | CN | disclosed |
| CN-113354586-A | Preparation method of trifluoromethyl-containing pyrazolone compound | 大连理工大学 | 2021-09-07 | — | — | CN | disclosed |