Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.38 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.38 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.38 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1954826 | 0.81 | SIGMAR1 (0.44) | CYP3A4TSHRALDH1A1HPGDMAPT | |
| SCHEMBL28100008 | 0.81 | CYP3A4 (0.50) | CYP3A4CYP2C9CYP2C19HSD17B10TSHR | |
| SCHEMBL28834470 | 0.80 | KMT2A (0.48) | CYP3A4CYP2C9CYP2C19HSD17B10TSHR | |
| SCHEMBL6207117 | 0.80 | CA2 (0.44) | HSD17B10ALDH1A1HPGDHSD17B1HSD17B2 | |
| SCHEMBL7416227 | 0.77 | SIGMAR1 (0.37) | CYP3A4CYP2C9CYP2C19MAPK14MAPK13 | |
| SCHEMBL28099849 | 0.75 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19HSD17B10TSHR | |
| SCHEMBL6256662 | 0.74 | CES2 (0.41) | MAPK14HSD17B10TSHRALDH1A1HTR3A | |
| SCHEMBL6037570 | 0.74 | TP53 (0.38) | CYP2C19HSD17B10TSHRMAPTMEN1 | |
| SCHEMBL27455559 | 0.72 | SIGMAR1 (0.38) | CYP3A4TSHRALDH1A1HPGDHSD17B1 | |
| Hydrochloric Acid SCHEMBL9316439 | 0.72 | SIGMAR1 (0.40) | CYP3A4CYP2C9CYP2C19PLA2G7TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-105884699-B | 4- substituted aniline quinazoline derivative and its preparation method and application | 中国药科大学 | 2019-05-07 | — | — | CN | disclosed |
| CN-105884699-A | 4-substituted anilinoquinazoline derivatives, and preparation method and application thereof | 中国药科大学 | 2016-08-24 | — | — | CN | disclosed |