Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 5/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 4/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28421066 | 0.77 | MAPT (0.36) | HPGDTSHRCYP2C19POLBRECQL | |
| SCHEMBL28670520 | 0.77 | CES1 (0.42) | CYP2C19HDAC3HDAC4HDAC1HDAC6 | |
| SCHEMBL28670280 | 0.74 | MAOB (0.43) | KMT2AALDH1A1 | |
| SCHEMBL28929352 | 0.74 | TRPA1 (0.50) | HPGDRIPK1KMT2ARAB9AALDH1A1 | |
| SCHEMBL28676158 | 0.73 | MAOB (0.38) | HPGDTSHRKMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL28654237 | 0.72 | TRPA1 (0.38) | CYP2C19HDAC4HDAC6KMT2ANPC1 | |
| SCHEMBL28650409 | 0.72 | MMP12 (0.39) | TSHRL3MBTL1HDAC3HDAC4HDAC1 | |
| SCHEMBL28658852 | 0.71 | TRPA1 (0.37) | TSHRCYP2C19L3MBTL1KMT2AMEN1 | |
| SCHEMBL4322455 | 0.71 | TAAR1 (0.42) | HPGDCYP2C19POLBL3MBTL1KMT2A | |
| SCHEMBL28658849 | 0.71 | MTNR1A (0.43) | HPGDTSHRHDAC6KMT2AMEN1 |
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 |