Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | MGLL | Q99685 | 11/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | CCR6 | P51684 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 3/20 | 0.40 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19511453 | 0.72 | TLR9 (0.62) | TLR9MGLLHSP90AA1ALDH1A1PKM | |
| SCHEMBL152339 | 0.69 | TLR9 (0.64) | TLR9MGLLHSP90AA1ALDH1A1PKM | |
| SCHEMBL29386767 | 0.69 | TLR9 (0.64) | TLR9MGLLHSP90AA1ALDH1A1PKM | |
| SCHEMBL2260920 | 0.69 | PDPK1 (0.41) | TLR9MGLLHSP90AA1ALDH1A1PKM | |
| SCHEMBL29377102 | 0.69 | TLR9 (1.00) | TLR9MGLLHSP90AA1ALDH1A1PKM | |
| SCHEMBL121404 | 0.69 | TLR9 (1.00) | TLR9MGLLHSP90AA1ALDH1A1PKM | |
| Hydrochloric Acid SCHEMBL4034218 | 0.68 | PDPK1 (0.40) | TLR9MGLLHSP90AA1ALDH1A1PKM | |
| SCHEMBL31179969 | 0.68 | TLR9 (0.68) | TLR9MGLLHSP90AA1ALDH1A1PKM | |
| SCHEMBL3277562 | 0.68 | TLR9 (0.68) | TLR9MGLLHSP90AA1ALDH1A1PKM | |
| SCHEMBL635306 | 0.68 | TLR9 (0.68) | TLR9MGLLHSP90AA1ALDH1A1PKM |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8058425-B2 | Purine derivatives as kinase inhibitors | ELI LILLY AND COMPANY (US) | 2011-11-15 | — | — | US | disclosed |