Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | XBP1 | P17861 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.51 |
| ▸ | GABRA2 | P47869 | 8/20 | 0.48 |
| ▸ | GABRB2 | P47870 | 8/20 | 0.48 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.47 |
| ▸ | GLP1R | P43220 | 1/20 | 0.47 |
| ▸ | TARBP2 | Q15633 | 1/20 | 0.47 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.44 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | METTL3 | Q86U44 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL26718751 | 0.88 | CYP1A2 (0.50) | CYP1A2MAPTNPC1ALDH1A1TP53 | |
| SCHEMBL4154574 | 0.85 | ALDH1A1 (0.57) | CYP1A2MAPTNPC1ALDH1A1TP53 | |
| SCHEMBL26281309 | 0.85 | ALDH1A1 (0.52) | CYP1A2MAPTNPC1ALDH1A1TP53 | |
| SCHEMBL2417340 | 0.83 | CYP1A2 (0.59) | CYP1A2MAPTNPC1ALDH1A1GABRA2 | |
| SCHEMBL14966295 | 0.82 | ALDH1A1 (0.50) | CYP1A2MAPTNPC1ALDH1A1TP53 | |
| SCHEMBL19961548 | 0.82 | ALDH1A1 (0.50) | CYP1A2MAPTNPC1ALDH1A1TP53 | |
| SCHEMBL16061031 | 0.82 | ALDH1A1 (0.50) | CYP1A2MAPTNPC1ALDH1A1TP53 | |
| SCHEMBL2415855 | 0.81 | CYP1A2 (0.56) | CYP1A2MAPTNPC1GABRA2GABRB2 | |
| SCHEMBL18137652 | 0.80 | GLP1R (0.50) | CYP1A2MAPTNPC1ALDH1A1TP53 | |
| SCHEMBL18132220 | 0.80 | CYP1A2 (0.59) | CYP1A2MAPTNPC1ALDH1A1HTT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6103906-A | Process for the preparation of 2,6-pyridinedicarboxylic acid esters | LONZA, LTD. (CH) | 2000-08-15 | — | — | US | disclosed |