Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | ERN1 | O75460 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | TLR2 | O60603 | 1/20 | 0.36 |
| ▸ | TEK | Q02763 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5632527 | 0.98 | CYP2A6 (0.45) | CYP2A6MAPTALDH1A1KDM4EMEN1 | |
| SCHEMBL29988400 | 0.78 | ALDH1A1 (0.46) | CYP2A6MAPTALDH1A1KDM4EMEN1 | |
| SCHEMBL16938449 | 0.78 | ALDH1A1 (0.46) | CYP2A6MAPTALDH1A1KDM4EMEN1 | |
| SCHEMBL664585 | 0.78 | ALDH1A1 (0.46) | CYP2A6MAPTALDH1A1KDM4EMEN1 | |
| SCHEMBL5632523 | 0.78 | CYP2A6 (0.45) | CYP2A6MAPTALDH1A1KDM4EMEN1 | |
| SCHEMBL6652905 | 0.77 | CYP2A6 (0.44) | CYP2A6ALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL11335899 | 0.77 | ALDH1A1 (0.45) | CYP2A6MAPTALDH1A1KDM4EMEN1 | |
| SCHEMBL1583773 | 0.77 | ALDH1A1 (0.45) | CYP2A6MAPTALDH1A1KDM4EMEN1 | |
| SCHEMBL3152266 | 0.77 | ALDH1A1 (0.45) | CYP2A6MAPTALDH1A1KDM4EMEN1 | |
| Ammonia Solution, Strong SCHEMBL3156815 | 0.77 | ALDH1A1 (0.45) | CYP2A6MAPTALDH1A1KDM4EMEN1 |
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-6313127-B1 | FOR THERAPY OF HYPERCHOLESTEROLEMIA OR ATHEROSCLEROSIS | ZENECA LIMITED (GB) | 2001-11-06 | — | — | US | disclosed |
| EP-0880501-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICAL AGENTS | ZENECA LIMITED (GB) | 1998-12-02 | — | — | EP | disclosed |
| WO-1997028128-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICAL AGENTS | ZENECA LIMITED (GB) | 1997-08-07 | — | — | WO | disclosed |