Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | ATR | Q13535 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12432195 | 0.76 | CYP2A6 (0.46) | CYP2A6DAOHDAC4PIM1SLC6A2 | |
| SCHEMBL594318 | 0.71 | CYP2A6 (0.50) | CYP2A6DAOHDAC4PIM1SLC6A2 | |
| SCHEMBL3799554 | 0.71 | CYP2A6 (0.50) | CYP2A6DAOHDAC4PIM1SLC6A2 | |
| SCHEMBL276295 | 0.71 | CYP2A6 (0.55) | CYP2A6DAOHDAC4PIM1SLC6A2 | |
| SCHEMBL911242 | 0.71 | CYP2A6 (0.50) | CYP2A6DAOHDAC4PIM1SLC6A2 | |
| SCHEMBL156699 | 0.71 | CYP2A6 (0.50) | CYP2A6DAOHDAC4PIM1SLC6A2 | |
| SCHEMBL389275 | 0.71 | CYP2A6 (0.50) | CYP2A6DAOHDAC4PIM1SLC6A2 | |
| SCHEMBL1866237 | 0.71 | CYP2A6 (0.50) | CYP2A6DAOHDAC4PIM1SLC6A2 | |
| SCHEMBL2011067 | 0.71 | CYP2A6 (0.50) | CYP2A6DAOHDAC4PIM1SLC6A2 | |
| SCHEMBL5869169 | 0.71 | CYP2A6 (0.50) | CYP2A6DAOHDAC4PIM1SLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008144222-A2 | TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS | ELI LILLY AND COMPANY (US) | 2008-11-27 | — | — | WO | disclosed |
| WO-2008144223-A2 | TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS | ELI LILLY AND COMPANY (US) | 2008-11-27 | — | — | WO | disclosed |