Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 2/20 | 0.38 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 0.33 |
| ▸ | TNFSF11 | O14788 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.33 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.33 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.33 |
| ▸ | GGT1 | P19440 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1406338 | 0.84 | NPC1 (0.31) | — | |
| SCHEMBL27750889 | 0.75 | TSHR (0.39) | KDM4EALDH1A1HSD17B10HPGDCYP2C19 | |
| SCHEMBL12956800 | 0.74 | ALDH1A1 (0.33) | KDM4EALDH1A1GAALMNACYP1A2 | |
| SCHEMBL27787851 | 0.73 | SLC22A6 (0.38) | KDM4EALDH1A1HSD17B10HPGDUSP2 | |
| SCHEMBL27794119 | 0.72 | SLC22A6 (0.40) | KDM4EALDH1A1HSD17B10HPGDBACE1 | |
| SCHEMBL28799382 | 0.72 | SLC22A6 (0.40) | KDM4EALDH1A1HSD17B10HPGDBACE1 | |
| SCHEMBL28058886 | 0.72 | ACHE (0.47) | KDM4EALDH1A1HSD17B10HPGDBACE1 | |
| SCHEMBL12450297 | 0.71 | KDM4E (0.31) | KDM4EGAA | |
| SCHEMBL27950030 | 0.71 | TNFSF11 (0.37) | KDM4EALDH1A1HSD17B10HPGDUSP2 | |
| SCHEMBL28686284 | 0.70 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105461629-A | Preparation method of 3-fluoroalkyl-1H-pyrazole-4-formic ester | UNIV TIANJIN | 2016-04-06 | — | — | CN | disclosed |