Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.39 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 3/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL28929352 | 0.88 | TRPA1 (0.50) | MAOBKDM4EALDH1A1TRPA1KMT2A | |
| SCHEMBL28654237 | 0.87 | TRPA1 (0.38) | MAOBALDH1A1TRPA1MAPTKMT2A | |
| SCHEMBL28658852 | 0.85 | TRPA1 (0.37) | MAOBKDM4ETRPA1MAPTCES2 | |
| SCHEMBL28670520 | 0.85 | CES1 (0.42) | MAOBALDH1A1TRPA1CES1 | |
| SCHEMBL28664225 | 0.83 | RXRA (0.36) | KDM4EALDH1A1TRPA1IDO1MAPT | |
| SCHEMBL28650409 | 0.83 | MMP12 (0.39) | TRPA1BACE1MAPT | |
| SCHEMBL28653905 | 0.78 | CYP1A2 (0.38) | — | |
| SCHEMBL29718860 | 0.76 | MAOB (0.40) | MAOBKDM4EALDH1A1IDO1CES2 | |
| SCHEMBL28656240 | 0.75 | MAOB (0.43) | MAOB | |
| SCHEMBL28656176 | 0.74 | HPGD (0.37) | ALDH1A1KMT2A |
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 |