Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 1/20 | 0.50 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.45 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.44 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | NOS3 | P29474 | 2/20 | 0.39 |
| ▸ | NOS1 | P29475 | 2/20 | 0.39 |
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 | 0.79 | ALDH1A1 (0.47) | ALDH1A1MAPTRAB9AMEN1KMT2A | |
| SCHEMBL29473444 | 0.76 | ALDH1A1 (0.52) | PLK1TAS1R3TAS1R1ALDH1A1MAPT | |
| SCHEMBL29473459 | 0.76 | MAOB (0.58) | ALDH1A1MAPTMEN1KMT2ANPC1 | |
| SCHEMBL29473445 | 0.76 | MAOA (0.58) | ALDH1A1RAB9ANPC1 | |
| SCHEMBL1380875 | 0.76 | PLK1 (0.50) | PLK1HAO1TAS1R3TAS1R1EPHX2 | |
| SCHEMBL29473434 | 0.75 | CA1 (0.58) | PLK1MAPTRAB9ASMN1; SMN2NPC1 | |
| SCHEMBL16795588 | 0.75 | PLK1 (0.44) | PLK1HAO1TAS1R3TAS1R1EPHX2 | |
| SCHEMBL27579430 | 0.75 | MAOA (0.55) | ALDH1A1MAPTMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL2677499 | 0.74 | PLK1 (0.57) | PLK1HAO1TAS1R3TAS1R1ALDH1A1 | |
| SCHEMBL2830827 | 0.73 | PLK1 (0.68) | PLK1HAO1TAS1R3TAS1R1EPHX2 |
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 |