Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | SPR | P35270 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | KMO | O15229 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | NR4A3 | Q92570 | 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 | |
|---|---|---|---|---|
| SCHEMBL30173693 | 0.84 | KDM4C (0.42) | KDM4EALDH1A1TDP1SPRHTT | |
| SCHEMBL20797210 | 0.82 | SMN1; SMN2 (0.50) | KDM4EALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL23039053 | 0.81 | POLB (0.47) | KDM4EALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL6052434 | 0.80 | KDM4E (0.41) | KDM4EALDH1A1TDP1SPRHTT | |
| SCHEMBL20807747 | 0.79 | LMNA (0.33) | KDM4EALDH1A1TDP1KMT2ASMN1; SMN2 | |
| SCHEMBL23038968 | 0.79 | HTT (0.42) | KDM4EALDH1A1HTTGAAMAPK1 | |
| SCHEMBL26456490 | 0.78 | POLB (0.36) | ALDH1A1HTTTSHRPOLB | |
| SCHEMBL23038834 | 0.78 | HTT (0.41) | KDM4EALDH1A1HTTGAAPOLB | |
| SCHEMBL4716984 | 0.78 | AGTR1 (0.42) | KDM4EALDH1A1TDP1SPRSMN1; SMN2 | |
| SCHEMBL3580133 | 0.76 | LMNA (0.54) | KDM4EALDH1A1TDP1SPRHTT |
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-116396221-A | Preparation method of 1- (3-hydroxy-3-methyl-2-butyl) -5-methyl-1H-pyrazole-4-carboxylic acid | 无锡科华生物科技有限公司 | 2023-07-07 | — | — | CN | claimed |
| CN-116396221-A | Preparation method of 1- (3-hydroxy-3-methyl-2-butyl) -5-methyl-1H-pyrazole-4-carboxylic acid | 无锡科华生物科技有限公司 | 2023-07-07 | — | — | CN | disclosed |
| CN-116396221-A | Preparation method of 1- (3-hydroxy-3-methyl-2-butyl) -5-methyl-1H-pyrazole-4-carboxylic acid | 无锡科华生物科技有限公司 | 2023-07-07 | — | — | CN | disclosed |
| CN-116396221-A | Preparation method of 1- (3-hydroxy-3-methyl-2-butyl) -5-methyl-1H-pyrazole-4-carboxylic acid | 无锡科华生物科技有限公司 | 2023-07-07 | — | — | CN | disclosed |