Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HTR1B | P28222 | 1/20 | 0.35 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8131375 | 0.80 | KEAP1 (0.40) | KEAP1MAPTNPSR1MEN1KMT2A | |
| SCHEMBL8115207 | 0.80 | KEAP1 (0.41) | KEAP1MAPTNPSR1MEN1KMT2A | |
| SCHEMBL1071313 | 0.79 | CA1 (0.41) | MAPTL3MBTL1CYP3A4ALDH1A1TP53 | |
| SCHEMBL8124863 | 0.79 | NPSR1 (0.40) | KEAP1MAPTNPSR1MEN1KMT2A | |
| SCHEMBL8116419 | 0.78 | KEAP1 (0.36) | KEAP1MAPTNPSR1MEN1KMT2A | |
| SCHEMBL8129904 | 0.78 | KEAP1 (0.36) | KEAP1MAPTNPSR1MEN1KMT2A | |
| SCHEMBL8129071 | 0.77 | KEAP1 (0.40) | KEAP1MAPTNPSR1MEN1KMT2A | |
| SCHEMBL8125548 | 0.77 | KEAP1 (0.40) | KEAP1MAPTNPSR1MEN1KMT2A | |
| SCHEMBL8131434 | 0.77 | CYP1A2 (0.47) | KEAP1MAPTNPSR1MEN1KMT2A | |
| SCHEMBL456604 | 0.77 | ACHE (0.33) | CYP3A4TRPA1ATM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1028945-A1 | SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS | Amgen Inc. (US) | 2000-08-23 | — | — | EP | disclosed |
| WO-1999024404-A1 | SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS | AMGEN INC. (US) | 1999-05-20 | — | — | WO | disclosed |