Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | PARP1 | P09874 | 2/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.32 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.31 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.31 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.31 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.31 |
| ▸ | AHR | P35869 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL16919867 | 0.74 | LIMK1 (0.42) | CYP2A6CYP1A2ALDH1A1PARP1ELANE | |
| SCHEMBL29364650 | 0.70 | CYP1A2 (0.55) | CYP2A6CYP1A2ALDH1A1LMNAHPGD | |
| SCHEMBL142551 | 0.70 | CYP1A2 (0.55) | CYP2A6CYP1A2ALDH1A1LMNAHPGD | |
| Hydrogen Sulfide SCHEMBL28590036 | 0.68 | CYP1A2 (0.52) | CYP2A6CYP1A2ALDH1A1LMNAHPGD | |
| SCHEMBL16283920 | 0.68 | LIMK1 (0.50) | CYP2A6CYP1A2LIMK1LMNAHPGD | |
| SCHEMBL19039387 | 0.68 | PSMD14 (0.49) | CYP2A6CYP1A2ALDH1A1PARP1LIMK1 | |
| SCHEMBL15497403 | 0.66 | CYP1A2 (0.50) | CYP2A6CYP1A2ALDH1A1LMNAHPGD | |
| SCHEMBL19039386 | 0.66 | LIMK1 (0.43) | CYP2A6CYP1A2ALDH1A1PARP1LIMK1 | |
| SCHEMBL16283921 | 0.66 | L3MBTL1 (0.46) | ALDH1A1LIMK1LMNAL3MBTL1 | |
| SCHEMBL7153969 | 0.66 | CYP1A2 (0.35) | CYP2A6CYP1A2ALDH1A1ARCHEK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0453137-A2 | Aminopyrimidine derivatives, a process for production thereof, and uses thereof | NIHON NOHYAKU CO., LTD. (JP) | 1991-10-23 | — | — | EP | disclosed |