Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | CTRC | Q99895 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.32 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15637601 | 0.77 | CYP2A6 (0.41) | CYP2A6ALDH1A1HSD17B10HPGD | |
| SCHEMBL10406683 | 0.74 | CYP2A6 (0.47) | CYP2A6CYP2B6BACE1ALDH1A1HSD17B10 | |
| SCHEMBL6971354 | 0.69 | L3MBTL1 (0.38) | CYP2A6CYP2B6CYP1A2ALDH1A1HPGD | |
| SCHEMBL14965301 | 0.64 | CYP2A6 (0.56) | CYP2A6CYP2B6CYP1A2BACE1CTRC | |
| SCHEMBL2745162 | 0.63 | CYP2A6 (0.68) | CYP2A6CYP2B6BACE1ALDH1A1HSD17B10 | |
| SCHEMBL456350 | 0.62 | CYP2A6 (0.44) | CYP2A6CYP1A2BACE1CTRCALDH1A1 | |
| SCHEMBL3978906 | 0.62 | CYP2A6 (0.50) | CYP2A6CYP1A2BACE1CTRCALDH1A1 | |
| SCHEMBL23628571 | 0.61 | CYP2A6 (1.00) | CYP2A6CYP1A2BACE1ALDH1A1HSD17B10 | |
| SCHEMBL29355088 | 0.61 | CYP2A6 (1.00) | CYP2A6CYP1A2BACE1ALDH1A1HSD17B10 | |
| SCHEMBL170230 | 0.61 | CYP2A6 (1.00) | CYP2A6CYP1A2BACE1ALDH1A1HSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1218739-A4 | 2-AMINOPYRIDINE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2003-06-04 | — | — | EP | claimed |
| EP-1218739-A1 | 2-AMINOPYRIDINE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2002-07-03 | — | — | EP | claimed |
| WO-2001023887-A1 | 2-AMINOPYRIDINE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-04-05 | — | — | WO | claimed |