Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.52 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | PRKCI | P41743 | 1/20 | 0.37 |
| ▸ | S100A4 | P26447 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17808087 | 0.72 | HSD11B1 (0.47) | PTGS2HSD11B1MAPTHPGDKDM4E | |
| SCHEMBL26016719 | 0.71 | SLC6A3 (0.43) | PTGS2MAPTSRD5A1ALDH1A1CNR1 | |
| SCHEMBL432355 | 0.69 | MAPT (0.49) | PTGS2HSD11B1MAPTHPGDKDM4E | |
| SCHEMBL213320 | 0.69 | PTGS2 (1.00) | PTGS2 | |
| SCHEMBL1798900 | 0.68 | MAOA (0.67) | SRD5A1MAPK1HSD17B10MAOAMAOB | |
| SCHEMBL14462643 | 0.68 | HPGD (0.40) | OPRM1MAPTHPGDKDM4ESRD5A1 | |
| SCHEMBL8651419 | 0.68 | PTGS2 (0.63) | PTGS2HSD11B1MAPTHPGDKDM4E | |
| SCHEMBL23196314 | 0.67 | PTGS2 (0.48) | PTGS2HSD11B1 | |
| SCHEMBL10286137 | 0.67 | CRHR1 (0.44) | OPRM1HSD11B1MAPTHPGDALDH1A1 | |
| SCHEMBL24819292 | 0.67 | BRD4 (0.51) | PTGS2MAPTHPGDKDM4ELMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113200856-B | Trifluoromethyl propylene compound and preparation method and application thereof | 南京工业大学 | 2022-06-07 | — | — | CN | disclosed |
| CN-113200856-A | Trifluoromethyl propylene compound and preparation method and application thereof | 南京工业大学 | 2021-08-03 | — | — | CN | disclosed |