Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 9/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | USP1 | O94782 | 10/20 | 0.47 |
| ▸ | WDR48 | Q8TAF3 | 10/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | RECQL | P46063 | 2/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 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 | |
|---|---|---|---|---|
| SCHEMBL6944922 | 0.78 | CYP1A2 (0.45) | CYP1A2CYP2C19CYP3A4ALDH1A1TSHR | |
| SCHEMBL29240141 | 0.77 | GSK3B (0.41) | CYP1A2CYP3A4ALDH1A1TSHRHSD17B10 | |
| SCHEMBL30630379 | 0.74 | TRPA1 (0.38) | CYP1A2CYP2C19CYP3A4ALDH1A1HSD17B10 | |
| SCHEMBL8390254 | 0.74 | USP1 (0.55) | CYP1A2CYP2C19CYP3A4ALDH1A1USP1 | |
| SCHEMBL4156258 | 0.74 | USP1 (0.52) | CYP1A2CYP2C19CYP3A4ALDH1A1USP1 | |
| SCHEMBL10783430 | 0.74 | CYP1A2 (0.50) | CYP1A2CYP2C19CYP3A4ALDH1A1USP1 | |
| SCHEMBL680853 | 0.73 | NPC1 (0.45) | CYP3A4ALDH1A1HSD17B10MAPK1MEN1 | |
| Hydrochloric Acid SCHEMBL4456673 | 0.72 | NPC1 (0.44) | CYP3A4ALDH1A1HSD17B10MAPK1MEN1 | |
| SCHEMBL30707907 | 0.70 | USP1 (0.39) | USP1 | |
| SCHEMBL4924089 | 0.70 | KDM4E (0.48) | CYP1A2HSD17B10ALOX15MAPK1HIF1A |
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 |