Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 16/20 | 0.73 |
| ▸ | MEN1 | O00255 | 1/20 | 0.61 |
| ▸ | USP2 | O75604 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.61 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.61 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.61 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.60 |
| ▸ | CD38 | P28907 | 1/20 | 0.60 |
| ▸ | RAF1 | P04049 | 1/20 | 0.59 |
| ▸ | BRAF | P15056 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL2103341 | 0.91 | EGFR (0.82) | EGFRMEN1ALDH1A1LMNAKMT2A | |
| SCHEMBL27878333 | 0.89 | USP2 (0.65) | EGFRMEN1USP2ALDH1A1LMNA | |
| SCHEMBL28086820 | 0.88 | EGFR (0.73) | EGFRMEN1USP2ALDH1A1LMNA | |
| SCHEMBL4586685 | 0.86 | EGFR (0.75) | EGFRMEN1ALDH1A1LMNAKMT2A | |
| SCHEMBL27685863 | 0.85 | EGFR (0.73) | EGFRLMNAERBB2CD38 | |
| SCHEMBL30513 | 0.84 | EGFR (1.00) | EGFRLMNACYP1A2CYP3A4HIF1A | |
| SCHEMBL29690398 | 0.84 | EGFR (1.00) | EGFRLMNACYP1A2CYP3A4HIF1A | |
| Hydrochloric Acid SCHEMBL7760887 | 0.84 | EGFR (0.76) | EGFRERBB2 | |
| SCHEMBL28475211 | 0.84 | CD38 (0.62) | EGFRMEN1USP2ALDH1A1LMNA | |
| SCHEMBL5568874 | 0.84 | HTT (0.74) | EGFRMEN1USP2ALDH1A1LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103382182-B | Phenylurea coupling quinazoline compounds and preparation method thereof, pharmaceutical composition and medicinal usage | 河北医科大学 | 2016-08-10 | — | — | CN | disclosed |
| CN-105753793-A | Aroylurea coupled quinazoline type compound and preparation method, pharmaceutical composition and pharmaceutical uses thereof | 河北医科大学 | 2016-07-13 | — | — | CN | disclosed |
| CN-103382182-A | Phenylurea coupling quinazoline compound, and preparation method, pharmaceutical composition and pharmaceutical use thereof | UNIV HEBEI MEDICAL | 2013-11-06 | — | — | CN | disclosed |