Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 1/20 | 0.62 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.62 |
| ▸ | NPC1 | O15118 | 4/20 | 0.56 |
| ▸ | RAB9A | P51151 | 4/20 | 0.56 |
| ▸ | CASP3 | P42574 | 1/20 | 0.56 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | MGAM | O43451 | 1/20 | 0.48 |
| ▸ | SI | P14410 | 1/20 | 0.48 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | UTS2R | Q9UKP6 | 2/20 | 0.46 |
| ▸ | CES2 | O00748 | 3/20 | 0.46 |
| ▸ | CES1 | P23141 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL68736 | 0.84 | CES2 (0.55) | GABBR2GABBR1NPC1RAB9AMEN1 | |
| SCHEMBL812736 | 0.83 | LMNA (0.67) | NPC1RAB9AMEN1KMT2AGAA | |
| SCHEMBL29262742 | 0.83 | LMNA (0.67) | NPC1RAB9AMEN1KMT2AGAA | |
| SCHEMBL2528895 | 0.83 | LMNA (0.67) | GABBR2GABBR1NPC1RAB9AMEN1 | |
| Methoxymethane SCHEMBL36596 | 0.82 | CES2 (0.53) | GABBR2GABBR1NPC1RAB9AMEN1 | |
| SCHEMBL6473958 | 0.82 | MAPT (0.48) | GABBR2GABBR1NPC1RAB9AMEN1 | |
| Benzoin SCHEMBL25372931 | 0.82 | LMNA (0.66) | GABBR2GABBR1NPC1RAB9AMEN1 | |
| SCHEMBL7087389 | 0.81 | AKR1C3 (0.46) | GABBR2GABBR1MEN1KMT2AGAA | |
| SCHEMBL17556628 | 0.81 | ALDH1A1 (0.62) | NPC1RAB9ACASP3SENP7MEN1 | |
| SCHEMBL12168990 | 0.78 | NPSR1 (0.56) | NPC1RAB9AMEN1KMT2AGAA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050272036-A1 | Ketones | ASTRAZENECA AB (SE) | 2005-12-08 | — | — | US | disclosed |
| CN-1681763-A | Chemical compounds | ASTRAZENECA AB (SE) | 2005-10-12 | — | — | CN | disclosed |
| EP-1549600-A1 | KETONES | AstraZeneca AB (SE) | 2005-07-06 | — | — | EP | disclosed |
| WO-2004011410-A1 | CHEMICAL COMPOUNDS | ASTRAZENECA AB (SE) | 2004-02-05 | — | — | WO | disclosed |