Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.43 |
| ▸ | TSHR | P16473 | 5/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | CD44 | P16070 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.36 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL467666 | 0.86 | CYP3A4 (0.37) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| SCHEMBL5133372 | 0.83 | CYP3A4 (0.32) | CYP3A4TSHRALDH1A1TDP1ALOX15 | |
| Hydrochloric Acid SCHEMBL7517167 | 0.81 | CYP3A4 (0.33) | CYP3A4TSHRALDH1A1TDP1ALOX15 | |
| SCHEMBL3697918 | 0.79 | CYP3A4 (0.43) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| SCHEMBL8967943 | 0.76 | TAAR1 (0.54) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| SCHEMBL11873762 | 0.75 | MEN1 (0.39) | CYP3A4TSHR | |
| SCHEMBL4742939 | 0.75 | SKP2 (0.48) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| SCHEMBL1823532 | 0.74 | TDP1 (0.40) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| SCHEMBL5812363 | 0.73 | KCNH2 (0.47) | CYP3A4TSHRPIK3CACYP1A2CYP2C9 | |
| SCHEMBL11026037 | 0.73 | CD44 (0.39) | CYP3A4TSHRPIK3CAALDH1A1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103193722-A | Novel quinazoline nitrogen mustard compound, and preparation method and application thereof to treatment of cancer | UNIV BEIJING NORMAL | 2013-07-10 | — | — | CN | disclosed |