Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL56059 | 0.74 | ADH1B (0.61) | SIGMAR1NPC1RAB9ASMN1; SMN2GAA | |
| SCHEMBL7375501 | 0.73 | SIGMAR1 (0.56) | SIGMAR1NPC1RAB9ASMN1; SMN2HTT | |
| SCHEMBL7327938 | 0.72 | SIGMAR1 (0.54) | SIGMAR1NPC1RAB9ASMN1; SMN2HTT | |
| Ethyne SCHEMBL1921118 | 0.71 | ADH1B (0.57) | SIGMAR1NPC1RAB9ASMN1; SMN2GAA | |
| SCHEMBL6203931 | 0.70 | SIGMAR1 (0.72) | SIGMAR1NPC1RAB9ASMN1; SMN2HTT | |
| SCHEMBL311932 | 0.70 | GAA (0.67) | NPC1RAB9ASMN1; SMN2HTTGAA | |
| SCHEMBL7736614 | 0.70 | ALDH1A1 (0.52) | SIGMAR1NPC1RAB9ASMN1; SMN2GAA | |
| SCHEMBL4430278 | 0.70 | ATM (0.58) | SIGMAR1NPC1RAB9ASMN1; SMN2GAA | |
| SCHEMBL7963483 | 0.70 | NPC1 (0.52) | SIGMAR1NPC1RAB9ASMN1; SMN2GAA | |
| SCHEMBL4553369 | 0.70 | NPC1 (0.52) | SIGMAR1NPC1RAB9ASMN1; SMN2GAA |
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-20050272036-A1 | Ketones | ASTRAZENECA AB (SE) | 2005-12-08 | — | — | US | 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 |