Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.33 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL10823156 | 0.87 | BACE1 (0.38) | DHFRBACE1NPC1RAB9ALMNA | |
| SCHEMBL8786595 | 0.84 | TRPA1 (0.41) | DHFRBACE1TRPA1ALDH1A1NPC1 | |
| Ethylene SCHEMBL27875997 | 0.83 | TRPA1 (0.44) | DHFRBACE1TRPA1ALDH1A1NPC1 | |
| SCHEMBL444673 | 0.82 | TRPA1 (0.48) | DHFRBACE1TRPA1ALDH1A1NPC1 | |
| SCHEMBL29277336 | 0.80 | KDM4C (0.35) | BACE1LMNAMAPTMAPK1SMN1; SMN2 | |
| SCHEMBL29277321 | 0.80 | CSNK2A2 (0.41) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL3759408 | 0.80 | L3MBTL1 (0.39) | BACE1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL10916484 | 0.80 | DHFR (0.53) | DHFRBACE1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL23671919 | 0.77 | CXCR4 (0.34) | BACE1ALDH1A1MAPK1 | |
| SCHEMBL29277338 | 0.77 | CA2 (0.44) | ALDH1A1MAPTMAPK1CA2TAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5786367-A | OXYGEN SCAVENGERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1998-07-28 | — | — | US | disclosed |
| EP-0719258-A1 | CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1996-07-03 | — | — | EP | disclosed |
| WO-1996002508-A1 | CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1996-02-01 | — | — | WO | disclosed |