Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 4/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | HPGD | P15428 | 3/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | GALR3 | O60755 | 1/20 | 0.51 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.43 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.42 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | USP8 | P40818 | 1/20 | 0.41 |
| ▸ | USP7 | Q93009 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CHUK | O15111 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5555946 | 0.86 | MCL1 (0.44) | MCL1KDM4EALDH1A1HPGDGAA | |
| SCHEMBL5562294 | 0.85 | LRRK2 (0.50) | MCL1KDM4EALDH1A1HPGDGAA | |
| SCHEMBL5556561 | 0.85 | MCL1 (0.56) | MCL1KDM4EALDH1A1HPGDGAA | |
| SCHEMBL19815041 | 0.83 | MCL1 (0.50) | MCL1KDM4EALDH1A1HPGDGAA | |
| SCHEMBL5556242 | 0.83 | XDH (0.49) | MCL1KDM4EALDH1A1HPGDLRRK2 | |
| SCHEMBL5556167 | 0.82 | GABRA1 (0.46) | MCL1KDM4EALDH1A1HPGDGAA | |
| SCHEMBL5556347 | 0.81 | PRKAB2 (0.55) | KDM4EALDH1A1GAALRRK2GLA | |
| SCHEMBL5561835 | 0.79 | LRRK2 (0.59) | KDM4EALDH1A1HPGDGAALRRK2 | |
| SCHEMBL5561047 | 0.78 | LRRK2 (0.52) | MCL1KDM4EALDH1A1HPGDGAA | |
| SCHEMBL16115949 | 0.75 | KDM4E (0.46) | MCL1KDM4EALDH1A1HPGDLRRK2 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1835922-B | Process for preparing 4-aryl-nicotinamide derivatives | HOFFMANN LA ROCHE | 2011-08-31 | — | — | CN | claimed |
| EP-1656351-B1 | PROCESS FOR PREPARATION OF 4-ARYL-NICOTINAMIDE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2007-12-19 | — | — | EP | claimed |
| CN-1835922-A | Process for preparing 4-aryl-nicotinamide derivatives | HOFFMANN LA ROCHE (CH) | 2006-09-20 | — | — | CN | claimed |
| EP-1656351-A1 | PROCESS FOR PREPARATION OF 4-ARYL-NICOTINAMIDE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2006-05-17 | — | — | EP | claimed |
| WO-2005014549-A1 | PROCESS FOR PREPARATION OF 4-ARYL-NICOTINAMIDE DERIVATIVES | F. HOFFMANN-LA-ROCHE AG (CH) | 2005-02-17 | — | — | WO | claimed |
| US-20050014792-A1 | Process for preparation of pyridine derivatives | ROCHE PALO ALTO LLC | 2005-01-20 | — | — | US | claimed |
| CN-1835922-B | Process for preparing 4-aryl-nicotinamide derivatives | HOFFMANN LA ROCHE | 2011-08-31 | — | — | CN | disclosed |
| EP-1656351-B1 | PROCESS FOR PREPARATION OF 4-ARYL-NICOTINAMIDE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2007-12-19 | — | — | EP | disclosed |
| US-7288658-B2 | Process for preparation of pyridine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2007-10-30 | — | — | US | disclosed |
| US-7288658-B2 | Process for preparation of pyridine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2007-10-30 | — | — | US | disclosed |
| CN-1835922-A | Process for preparing 4-aryl-nicotinamide derivatives | HOFFMANN LA ROCHE (CH) | 2006-09-20 | — | — | CN | disclosed |
| EP-1656351-A1 | PROCESS FOR PREPARATION OF 4-ARYL-NICOTINAMIDE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2006-05-17 | — | — | EP | disclosed |
| WO-2005014549-A1 | PROCESS FOR PREPARATION OF 4-ARYL-NICOTINAMIDE DERIVATIVES | F. HOFFMANN-LA-ROCHE AG (CH) | 2005-02-17 | — | — | WO | disclosed |
| US-20050014792-A1 | Process for preparation of pyridine derivatives | ROCHE PALO ALTO LLC | 2005-01-20 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050014792-A1 | Process for preparation of pyridine derivatives | NOX3, KMO, PBK | MCL1 780/4885KDM4E 1175/4885ALDH1A1 1856/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.