Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.58 |
| ▸ | MAOB | P27338 | 2/20 | 0.58 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29473471 | 0.80 | ALDH1A1 (0.47) | CES2CES1ALDH1A1NPC1RAB9A | |
| SCHEMBL29473459 | 0.80 | MAOB (0.58) | MAOAMAOBCES2CES1ALDH1A1 | |
| SCHEMBL27579430 | 0.79 | MAOA (0.55) | MAOAMAOBCES2CES1PTPN1 | |
| SCHEMBL3846985 | 0.79 | PLOD2 (0.60) | CES2CES1PTPN1ALDH1A1NPC1 | |
| SCHEMBL29473441 | 0.78 | PARP1 (0.59) | MAOAMAOBCES2CES1NPC1 | |
| Hydrochloric Acid SCHEMBL3856158 | 0.78 | PLOD2 (0.58) | MAOAMAOBCES2CES1PTPN1 | |
| SCHEMBL29473444 | 0.77 | ALDH1A1 (0.52) | ALDH1A1NPC1 | |
| SCHEMBL29473434 | 0.76 | CA1 (0.58) | CES2CES1NPC1RAB9ACA1 | |
| SCHEMBL29473446 | 0.76 | PLK1 (0.50) | ALDH1A1NPC1RAB9A | |
| SCHEMBL18484143 | 0.75 | MAOA (0.57) | MAOAMAOBCES2CES1 |
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-110156668-B | Method for synthesizing 4-polyfluoroalkyl-2, 6-diaryl substituted pyridine compound | 福州大学 | 2022-04-26 | — | — | CN | disclosed |