Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLD1 | Q13393 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.51 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.51 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.51 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.51 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.51 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.51 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL29857922 | 0.85 | PLD1 (0.73) | PLD1KDM4EALDH1A1MAPK1MAPT | |
| SCHEMBL21353591 | 0.85 | — | — | |
| SCHEMBL15800694 | 0.85 | PLD1 (0.73) | PLD1KDM4EALDH1A1MAPK1MAPT | |
| SCHEMBL29462629 | 0.81 | PLD1 (0.68) | PLD1KDM4EALDH1A1MAPK1MAPT | |
| SCHEMBL157489 | 0.81 | PLD1 (0.68) | PLD1KDM4EALDH1A1MAPK1MAPT | |
| SCHEMBL230367 | 0.81 | PLD1 (0.68) | PLD1KDM4EALDH1A1MAPK1MAPT | |
| SCHEMBL18228078 | 0.81 | PLD1 (0.68) | PLD1KDM4EALDH1A1MAPK1MAPT | |
| Hydrochloric Acid SCHEMBL30476672 | 0.79 | PLD1 (0.66) | PLD1KDM4EALDH1A1MAPK1MAPT | |
| SCHEMBL29389926 | 0.79 | PLD1 (0.66) | PLD1KDM4EALDH1A1MAPK1MAPT | |
| SCHEMBL3154137 | 0.79 | PLD1 (0.66) | PLD1KDM4EALDH1A1MAPK1MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1414525-B1 | 2-(3,5-BIS-TRIFLUOROMETHYL-PHENYL)-N-¬6-(1,1-DIOXO-1.LAMBDA.6-THIOMORPHOLIN-4-YL)-4-(2-METHYL OR 4-FLUORO-2-METHYL SUBSTITUTED)PHENYL-PYRIDIN-3-YL -N-METHYL-ISOBUTYRAMIDE | HOFFMANN LA ROCHE (CH) | 2009-05-06 | — | — | EP | disclosed |
| EP-0889034-B1 | AMINOPYRIDINE DERIVATIVES | BANYU PHARMA CO LTD (JP) | 2003-09-17 | — | — | EP | disclosed |
| US-5362723-A | 2-(heterocyclylheteroaryliumalkyl) phenyl carbapenem antibacterial agents | MERCK & CO., INC. (US) | 1994-11-08 | — | — | US | disclosed |
| EP-0414492-A1 | 2-(heterocyclheterioaryliumalkyl) phenyl carbapenem antibacterial agents | MERCK & CO. INC. (US) | 1991-02-27 | — | — | EP | disclosed |