Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.54 |
| ▸ | PARP1 | P09874 | 3/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | PRKCI | P41743 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30098515 | 0.78 | GAA (0.56) | KEAP1PARP1BRD4GAAMAPT | |
| SCHEMBL564816 | 0.78 | GAA (0.56) | KEAP1PARP1BRD4GAAMAPT | |
| SCHEMBL397246 | 0.73 | CYP2A6 (1.00) | CYP2A6KEAP1EGFRGAAMAPT | |
| Hydrochloric Acid SCHEMBL11614276 | 0.72 | CYP2A6 (0.96) | CYP2A6KEAP1EGFRGAAMAPT | |
| SCHEMBL23346719 | 0.68 | PRKCI (0.56) | EGFRBRD4GAAHPGDKDM4E | |
| SCHEMBL11086335 | 0.65 | CYP2A6 (0.62) | CYP2A6KEAP1EGFRGAAMAPT | |
| SCHEMBL16455687 | 0.65 | PRKCI (0.52) | CYP2A6EGFRBRD4GAAMAPT | |
| SCHEMBL13833580 | 0.64 | GAA (0.57) | CYP2A6BRD4GAAMAPTCYP1A2 | |
| SCHEMBL30349871 | 0.63 | PARP1 (0.53) | KEAP1PARP1BRD4HPGDKDM4E | |
| SCHEMBL25405559 | 0.63 | PARP1 (0.53) | KEAP1PARP1BRD4HPGDKDM4E |
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-2142503-A2 | PROCESS FOR THE MANUFACTURE FOR NON-STEROIDAL ANTI-INFLAMMATORY AGENTS AND INTERMEDIATES THEREOF | Intendis GmbH (DE) | 2010-01-13 | — | — | EP | disclosed |
| WO-2008128750-A2 | PROCESS FOR THE MANUFACTURE FOR NON-STEROIDAL ANTI-INFLAMMATORY AGENTS AND INTERMEDIATES THEREOF | INTENDIS GMBH (DE) | 2008-10-30 | — | — | WO | disclosed |