Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | ASIC3 | Q9UHC3 | 2/20 | 0.47 |
| ▸ | PLK1 | P53350 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | MGAM | O43451 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | SI | P14410 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2026676 | 0.79 | ALDH1A1 (0.78) | ALDH1A1NPC1RAB9AACHEIDO1 | |
| SCHEMBL30469275 | 0.79 | ALDH1A1 (0.78) | ALDH1A1NPC1RAB9AACHEIDO1 | |
| SCHEMBL3143591 | 0.78 | KEAP1 (0.57) | ALDH1A1PLK1NPC1RAB9ABCHE | |
| SCHEMBL546381 | 0.78 | ABL1 (0.59) | RAB9ABCHEACHEPDE4DLMNA | |
| SCHEMBL826630 | 0.78 | TSHR (0.50) | ALDH1A1NPC1RAB9AACHELMNA | |
| SCHEMBL28844239 | 0.78 | PLK1 (0.47) | ALDH1A1ASIC3PLK1NPC1RAB9A | |
| Water SCHEMBL29134001 | 0.77 | ALDH1A1 (0.75) | ALDH1A1NPC1RAB9AACHEIDO1 | |
| SCHEMBL7086073 | 0.77 | ALDH1A1 (0.46) | ALDH1A1RAB9ALMNAGAAMAPT | |
| SCHEMBL27491688 | 0.76 | ASIC3 (0.56) | ALDH1A1ASIC3NPC1RAB9ALMNA | |
| SCHEMBL4734622 | 0.76 | ABL1 (0.76) | PLK1NPC1RAB9AROCK1 |
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-6521643-B1 | Prevention and/or treatment of nitric oxide synthasey medi-ated diseases such as adult respiratory distress syndrome, myocarditis, synovitis, septic shock, diabetes, ulcerative colitis, cerebral infarction, osteoarthritis | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2003-02-18 | — | — | US | disclosed |
| EP-1157022-A1 | PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-11-28 | — | — | EP | disclosed |
| WO-2000049015-A1 | PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-08-24 | — | — | WO | disclosed |