Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 13/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 12/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 11/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 6/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 10/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | PTGES | O14684 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL3063543 | 0.81 | NPC1 (0.54) | ALDH1A1HSD17B10PTGESPARP1KDM4E | |
| SCHEMBL6944926 | 0.78 | ALDH1A1 (0.54) | CYP3A4CYP2C19CYP2D6ALDH1A1ALOX15 | |
| SCHEMBL3058557 | 0.76 | NPC1 (0.41) | ALDH1A1PTGES | |
| SCHEMBL28024969 | 0.74 | NPBWR1 (0.49) | — | |
| SCHEMBL30874472 | 0.74 | MKNK1 (0.58) | ALDH1A1HSD17B10MEN1KMT2AKDM4E | |
| SCHEMBL5914424 | 0.74 | KDM4C (0.49) | CYP3A4ALDH1A1ALOX15HSD17B10MAPK1 | |
| SCHEMBL10740426 | 0.74 | HDAC3 (0.53) | ALDH1A1HSD17B10HDAC3HDAC7HDAC10 | |
| SCHEMBL5240824 | 0.73 | NPC1 (0.41) | CYP2D6ALDH1A1MAPK1MEN1KMT2A | |
| SCHEMBL4117692 | 0.73 | NPC1 (0.63) | ALDH1A1HSD17B10MAPK1HDAC3HDAC7 | |
| SCHEMBL31679092 | 0.73 | NPC1 (0.63) | ALDH1A1HSD17B10MAPK1HDAC3HDAC7 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2379555-A1 | PURINE COMPOUNDS | Eli Lilly and Company (US) | 2011-10-26 | — | — | EP | claimed |
| WO-2010080306-A1 | PURINE COMPOUNDS | ELI LILLY AND COMPANY (US) | 2010-07-15 | — | — | WO | claimed |