Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 2/20 | 0.34 |
| ▸ | ELANE | P08246 | 5/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TNF | P01375 | 1/20 | 0.33 |
| ▸ | BTK | Q06187 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5150587 | 1.00 | HCAR2 (0.36) | HCAR2KEAP1NFE2L2ALDH1A1TDP1 | |
| SCHEMBL5150589 | 1.00 | HCAR2 (0.36) | HCAR2KEAP1NFE2L2ALDH1A1TDP1 | |
| SCHEMBL25300 | 0.92 | HCAR2 (0.43) | HCAR2KEAP1NFE2L2ALDH1A1TDP1 | |
| SCHEMBL25301 | 0.92 | HCAR2 (0.43) | HCAR2KEAP1NFE2L2ALDH1A1TDP1 | |
| SCHEMBL16140874 | 0.90 | HCAR2 (0.44) | HCAR2KEAP1NFE2L2ALDH1A1TDP1 | |
| SCHEMBL30622827 | 0.87 | HCAR2 (0.44) | HCAR2KEAP1NFE2L2ALDH1A1TDP1 | |
| SCHEMBL25768 | 0.79 | — | — | |
| SCHEMBL13308198 | 0.79 | — | — | |
| SCHEMBL25769 | 0.79 | — | — | |
| SCHEMBL7407410 | 0.78 | MAPT (0.36) | ALDH1A1EGFRELANEMEN1CYP2C19 |
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-1746999-A1 | 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES | Warner-Lambert Company LLC (US) | 2007-01-31 | — | — | EP | disclosed |
| WO-2005107758-A1 | 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES | WARNER-LAMBERT COMPANY LLC (US) | 2005-11-17 | — | — | WO | disclosed |