Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | MMP2 | P08253 | 2/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | MMP14 | P50281 | 1/20 | 0.39 |
| ▸ | TGM2 | P21980 | 1/20 | 0.39 |
| ▸ | PTPRC | P08575 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL78562 | 0.80 | ALDH1A1 (0.51) | ALDH1A1MAPTLMNAAKR1C3CA1 | |
| SCHEMBL2052519 | 0.78 | FDPS (0.43) | ALDH1A1MAPTKDM4ELMNAHTT | |
| SCHEMBL2033791 | 0.75 | ALDH1A1 (0.47) | ALDH1A1MAPTLMNAAKR1C3CA1 | |
| SCHEMBL8020613 | 0.74 | ALDH1A1 (0.63) | ALDH1A1MAPTKDM4ELMNAHTT | |
| SCHEMBL10685573 | 0.74 | CYP2C19 (0.50) | ALDH1A1MAPTKDM4ELMNAHTT | |
| SCHEMBL830832 | 0.72 | CYP2C19 (0.42) | ALDH1A1MAPTKDM4ELMNAHTT | |
| SCHEMBL5897358 | 0.72 | CA1 (0.50) | AKR1C3CA1CA2CES1CES2 | |
| Allyl Alcohol SCHEMBL28052693 | 0.70 | TSHR (0.55) | ALDH1A1MAPTKDM4ELMNAHTT | |
| SCHEMBL2030739 | 0.70 | CA1 (0.49) | ALDH1A1AKR1C3CA1CA2CES1 | |
| SCHEMBL2637314 | 0.70 | PTPRC (0.51) | ALDH1A1MAPTKDM4ELMNAHTT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1542970-B1 | PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS | HOFFMANN LA ROCHE (CH) | 2010-06-30 | — | — | EP | disclosed |
| US-7151111-B2 | 4-pyrrolidino-phenyl-benzyl ether derivatives | HOFFMANN-LA ROCHE INC. (US) | 2006-12-19 | — | — | US | disclosed |
| EP-1542970-A1 | PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2005-06-22 | — | — | EP | disclosed |
| US-20040116707-A1 | 4-Pyrrolidino-phenyl-benzyl ether derivatives | HOFFMANN-LA ROCHE INC. | 2004-06-17 | — | — | US | disclosed |
| WO-2004026825-A1 | PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2004-04-01 | — | — | WO | disclosed |