Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC13A3 | Q8WWT9 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 2/20 | 0.36 |
| ▸ | KLRK1 | P26718 | 1/20 | 0.35 |
| ▸ | MICA | Q29983 | 1/20 | 0.35 |
| ▸ | RAET1L | Q5VY80 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 3/20 | 0.34 |
| ▸ | DDR1 | Q08345 | 3/20 | 0.34 |
| ▸ | ACLY | P53396 | 2/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RHOC | P08134 | 1/20 | 0.33 |
| ▸ | RHOA | P61586 | 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 | |
|---|---|---|---|---|
| SCHEMBL22770471 | 0.76 | PPARG (0.41) | SLC13A3CES2KLRK1MICARAET1L | |
| SCHEMBL23972411 | 0.75 | PPARG (0.40) | SLC13A3CES2KLRK1MICARAET1L | |
| SCHEMBL11750721 | 0.75 | PPARG (0.40) | SLC13A3CES2KLRK1MICARAET1L | |
| SCHEMBL7097950 | 0.72 | GAA (0.39) | SLC13A3AHRDDR1 | |
| SCHEMBL10913469 | 0.72 | RAPGEF4 (0.39) | SLC13A3CES2KLRK1MICARAET1L | |
| SCHEMBL14321833 | 0.72 | PDE2A (0.36) | SLC13A3CES2KLRK1MICARAET1L | |
| SCHEMBL630804 | 0.72 | PDE2A (0.47) | SLC13A3KLRK1MICARAET1LAHR | |
| SCHEMBL9967739 | 0.71 | RAPGEF4 (0.41) | SLC13A3KLRK1MICARAET1LAHR | |
| SCHEMBL28888609 | 0.69 | CYP1A2 (0.35) | — | |
| Hydrochloric Acid SCHEMBL19948778 | 0.69 | ITGAV (0.40) | SLC13A3GPR35 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115784858-A | Preparation method of 1- (3-chloro-5- (trifluoromethyl) phenyl) -2, 2-trifluoroacetone | 济南久隆医药科技有限公司 | 2023-03-14 | — | — | CN | claimed |
| CN-115433140-B | Synthetic method of Aforana | 世华合创生物技术开发(山东)有限公司 | 2023-01-31 | — | — | CN | claimed |
| CN-115784858-A | Preparation method of 1- (3-chloro-5- (trifluoromethyl) phenyl) -2, 2-trifluoroacetone | 济南久隆医药科技有限公司 | 2023-03-14 | — | — | CN | disclosed |
| CN-115784858-A | Preparation method of 1- (3-chloro-5- (trifluoromethyl) phenyl) -2, 2-trifluoroacetone | 济南久隆医药科技有限公司 | 2023-03-14 | — | — | CN | disclosed |
| CN-115784858-A | Preparation method of 1- (3-chloro-5- (trifluoromethyl) phenyl) -2, 2-trifluoroacetone | 济南久隆医药科技有限公司 | 2023-03-14 | — | — | CN | disclosed |
| CN-115433140-B | Synthetic method of Aforana | 世华合创生物技术开发(山东)有限公司 | 2023-01-31 | — | — | CN | disclosed |