Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | ECE1 | P42892 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6204706 | 0.94 | NPC1 (0.46) | NPC1ALDH1A1LMNAKDM4EPKM | |
| SCHEMBL6200990 | 0.86 | MAPT (0.44) | ALDH1A1LMNAKDM4EPKMRAB9A | |
| SCHEMBL9877648 | 0.84 | ALDH1A1 (0.48) | NPC1ALDH1A1LMNAKDM4EPKM | |
| SCHEMBL9878025 | 0.82 | ALDH1A1 (0.46) | NPC1ALDH1A1LMNAKDM4EPKM | |
| SCHEMBL6199987 | 0.82 | RAB9A (0.43) | NPC1ALDH1A1LMNAKDM4EPKM | |
| SCHEMBL6203751 | 0.82 | MAPK1 (0.46) | NPC1ALDH1A1LMNAKDM4EPKM | |
| SCHEMBL11094696 | 0.81 | ALDH1A1 (0.48) | NPC1ALDH1A1LMNAKDM4EPKM | |
| SCHEMBL11094694 | 0.81 | ALDH1A1 (0.48) | NPC1ALDH1A1LMNAKDM4EPKM | |
| SCHEMBL9877329 | 0.81 | ALDH1A1 (0.46) | NPC1ALDH1A1LMNAKDM4EPKM | |
| SCHEMBL10448844 | 0.81 | ALDH1A1 (0.48) | NPC1ALDH1A1LMNAKDM4EPKM |
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 |
| 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 |
| EP-0117485-A2 | Pyridine, pyrazine and pyrimidine derivatives and their use as fungicides | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1984-09-05 | — | — | EP | disclosed |