Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | HTT | P42858 | 4/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 6/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10509439 | 0.90 | ADORA2B (0.50) | ADORA2BALDH1A1HTTGAALMNA | |
| SCHEMBL9726271 | 0.87 | ALDH1A1 (0.64) | ADORA2BALDH1A1HTTADORA3GAA | |
| SCHEMBL10507556 | 0.87 | ADORA2B (0.48) | ADORA2BALDH1A1HTTGAALMNA | |
| SCHEMBL9726284 | 0.86 | KDM4E (0.62) | ADORA2BALDH1A1HTTGAALMNA | |
| SCHEMBL9726279 | 0.86 | ADORA2B (0.47) | ADORA2BALDH1A1HTTGAALMNA | |
| SCHEMBL10508024 | 0.84 | ADORA2B (0.46) | ADORA2BALDH1A1HTTGAALMNA | |
| SCHEMBL10507774 | 0.84 | ADORA2B (0.46) | ADORA2BALDH1A1HTTGAALMNA | |
| SCHEMBL9188539 | 0.84 | ADORA2B (0.46) | ADORA2BALDH1A1HTTGAALMNA | |
| SCHEMBL10509646 | 0.84 | ALDH1A1 (0.53) | ADORA2BALDH1A1HTTGAALMNA | |
| SCHEMBL10550132 | 0.83 | LMNA (0.51) | ADORA2BALDH1A1HTTGAALMNA |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5142055-A | Dehydrofluorinating reduced fluoroalkyl pyridine compound | MONSANTO COMPANY (US) | 1992-08-25 | — | — | US | disclosed |
| EP-0133612-B1 | SUBSTITUTED 2,6-SUBSTITUTED PYRIDINE COMPOUNDS | MONSANTO COMPANY (US) | 1991-02-27 | — | — | EP | disclosed |
| US-4978384-A | HERBICIDES | MONSANTO COMPANY (US) | 1990-12-18 | — | — | US | disclosed |
| US-4826530-A | PREEEMERGENCE AND SELECTIVE POSTEMEREGENCE HERBICIDES | MONSANTO COMPANY (US) | 1989-05-02 | — | — | US | disclosed |
| EP-0135491-B1 | HERBICIDAL 2,6-BIS-FLUOROMETHYL-DIHYDROPYRIDINE-3,5-DICARBOXYLIC ACID ESTERS | MONSANTO COMPANY (US) | 1989-01-25 | — | — | EP | disclosed |
| US-4692184-A | HERBICIDES | MONSANTO COMPANY (US) | 1987-09-08 | — | — | US | disclosed |
| EP-0135491-A1 | Herbicidal 2,6-bis-fluoromethyl-dihydropyridine-3,5-dicarboxylic acid esters | MONSANTO COMPANY (US) | 1985-03-27 | — | — | EP | disclosed |
| EP-0133612-A2 | Substituted 2,6-substituted pyridine compounds | MONSANTO COMPANY (US) | 1985-02-27 | — | — | EP | disclosed |