Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | APLNR | P35414 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | TTK | P33981 | 1/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.37 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10986260 | 0.75 | CYP2A6 (0.41) | TLR8CYP2A6CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL10990639 | 0.73 | BACE1 (0.40) | TLR8CYP2A6CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL10983839 | 0.64 | ALDH1A1 (0.49) | CYP2A6ALDH1A1HSP90AA1HSP90AB1PTK2 | |
| SCHEMBL29364970 | 0.64 | CYP11B2 (0.47) | CYP2A6CYP11B1CYP11B2MAPTBACE1 | |
| SCHEMBL25206285 | 0.64 | CYP11B2 (0.47) | CYP2A6CYP11B1CYP11B2MAPTBACE1 | |
| SCHEMBL27656597 | 0.62 | PDE10A (0.54) | TLR8CYP2A6CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL16835877 | 0.62 | CYP2A6 (0.57) | CYP2A6CYP2C19ALDH1A1HSP90AA1HSP90AB1 | |
| SCHEMBL10992902 | 0.62 | CYP2A6 (0.41) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL30522560 | 0.62 | BACE1 (0.46) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL28909937 | 0.61 | CYP2A6 (0.47) | TLR8CYP2A6CYP2E1CYP2C9CYP2B6 |
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-4497814-A | 2-(Pyridinyl)-1,2,4-triazolo[1,5-a]pyrimidines and derivatives useful in increasing cardiac contractility | SCHERING CORPORATION (US) | 1985-02-05 | — | — | US | disclosed |