Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL11288937 | 0.93 | ALDH1A1 (0.54) | ALDH1A1CYP3A4KMT2ANPC1RAB9A | |
| SCHEMBL6319785 | 0.91 | CES2 (0.43) | ALDH1A1CYP3A4KMT2ANPC1RAB9A | |
| SCHEMBL10018352 | 0.88 | ALDH1A1 (0.68) | ALDH1A1CYP3A4KMT2ANPC1RAB9A | |
| SCHEMBL26160 | 0.88 | ALDH1A1 (0.68) | ALDH1A1CYP3A4KMT2ANPC1RAB9A | |
| SCHEMBL28589539 | 0.86 | ALDH1A1 (0.57) | ALDH1A1CYP3A4KMT2ANPC1RAB9A | |
| Water SCHEMBL23466907 | 0.86 | ALDH1A1 (0.66) | ALDH1A1CYP3A4KMT2ANPC1RAB9A | |
| Methoxymethane SCHEMBL28231191 | 0.86 | ALDH1A1 (0.66) | ALDH1A1CYP3A4KMT2ANPC1RAB9A | |
| SCHEMBL12071217 | 0.85 | LMNA (0.57) | ALDH1A1CYP3A4KMT2ANPC1RAB9A | |
| SCHEMBL6223942 | 0.85 | NPSR1 (0.65) | ALDH1A1CYP3A4KMT2ANPC1RAB9A | |
| SCHEMBL1791860 | 0.83 | MAPT (0.73) | ALDH1A1CYP3A4KMT2ANPC1RAB9A |
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 |