Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29052275 | 0.87 | ALDH1A1 (0.41) | ALDH1A1TP53TSHRSMN1; SMN2TDP1 | |
| SCHEMBL455622 | 0.77 | ALDH1A1 (0.48) | ALDH1A1TSHRSMN1; SMN2TDP1MAPT | |
| SCHEMBL8115207 | 0.76 | KEAP1 (0.41) | ALDH1A1TP53MAPTL3MBTL1KEAP1 | |
| SCHEMBL1554959 | 0.76 | TDP1 (0.52) | ALDH1A1SMN1; SMN2TDP1MAPTL3MBTL1 | |
| SCHEMBL28419502 | 0.75 | TLR4 (0.46) | ALDH1A1TSHRSMN1; SMN2TDP1MAPT | |
| SCHEMBL8129475 | 0.74 | TSHR (0.49) | ALDH1A1TP53TSHRSMN1; SMN2TDP1 | |
| SCHEMBL8124536 | 0.74 | MEN1 (0.49) | ALDH1A1TDP1POLB | |
| SCHEMBL8129071 | 0.73 | KEAP1 (0.40) | ALDH1A1TP53MAPTL3MBTL1KEAP1 | |
| SCHEMBL8125548 | 0.73 | KEAP1 (0.40) | ALDH1A1TP53MAPTL3MBTL1KEAP1 | |
| SCHEMBL8131375 | 0.73 | KEAP1 (0.40) | ALDH1A1TP53MAPTL3MBTL1KEAP1 |
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 |