Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.49 |
| ▸ | BCHE | P06276 | 1/20 | 0.49 |
| ▸ | CES1 | P23141 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 4/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | POLB | P06746 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL8177169 | 0.89 | CES2 (0.53) | CES2BCHECES1SMN1; SMN2NPC1 | |
| SCHEMBL8174964 | 0.87 | SMN1; SMN2 (0.58) | CES2BCHECES1SMN1; SMN2NPC1 | |
| SCHEMBL3762150 | 0.87 | RAB9A (0.55) | SMN1; SMN2NPC1RAB9ATP53HPGD | |
| SCHEMBL8181206 | 0.85 | MAPT (0.55) | CES2BCHECES1SMN1; SMN2NPC1 | |
| SCHEMBL8176779 | 0.84 | CES2 (0.49) | CES2BCHECES1SMN1; SMN2NPC1 | |
| SCHEMBL8180872 | 0.82 | PIN1 (0.50) | CES2BCHECES1SMN1; SMN2NPC1 | |
| SCHEMBL8176832 | 0.82 | MAPK14 (0.58) | CES2CES1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL8467508 | 0.82 | RAB9A (0.52) | SMN1; SMN2NPC1RAB9ATP53HPGD | |
| SCHEMBL10954882 | 0.81 | KAT6A (0.52) | SMN1; SMN2NPC1RAB9ATP53HPGD | |
| SCHEMBL28266600 | 0.81 | CES2 (0.45) | CES2BCHECES1SMN1; SMN2NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000063176-A2 | DISUBSTITUTED PYRIDINES AND PYRIMIDINES AS HERBICIDES AND FUNGICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2000-10-26 | — | — | WO | disclosed |