Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 4/20 | 0.35 |
| ▸ | TDO2 | P48775 | 4/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TACR1 | P25103 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | FABP4 | P15090 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28288667 | 0.77 | — | — | |
| SCHEMBL28058866 | 0.72 | IDO1 (0.33) | IDO1TDO2KMT2AHTTPARP1 | |
| SCHEMBL858 | 0.71 | CYP2D6 (0.42) | IDO1TDO2SLC6A3KMT2AHTT | |
| SCHEMBL28785325 | 0.70 | TACR1 (0.34) | TACR1FABP4 | |
| SCHEMBL27934677 | 0.70 | L3MBTL1 (0.35) | IDO1TDO2TACR1HTT | |
| SCHEMBL29006272 | 0.69 | TACR1 (0.45) | TACR1KMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL10708013 | 0.69 | HTT (0.44) | IDO1TDO2SLC6A3KMT2AHTT | |
| SCHEMBL27921924 | 0.68 | KMT2A (0.33) | SLC6A3KMT2AATMHTTMEN1 | |
| SCHEMBL27757169 | 0.68 | IDO1 (0.39) | IDO1TDO2KMT2AMEN1GPR55 | |
| SCHEMBL28330269 | 0.68 | IDO1 (0.36) | IDO1TDO2KMT2AMEN1GPR55 |
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-109689629-A | The method for preparing 3- fluoroalkyl -5- pyrazole carboxylate and 3- fluoroalkyl -5- pyrazole carboxylic acid | 拜耳作物科学股份公司 | 2019-04-26 | — | — | CN | disclosed |