Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27552998 | 0.84 | ALDH1A1 (0.41) | ALDH1A1TDP1CYP3A4ALOX15NR1H4 | |
| SCHEMBL27462168 | 0.82 | ADRB2 (0.52) | ALDH1A1TDP1CYP3A4ALOX15NR1H4 | |
| SCHEMBL4036027 | 0.82 | ALDH1A1 (0.42) | ALDH1A1TDP1CYP3A4ALOX15NR1H4 | |
| SCHEMBL27615290 | 0.81 | NR1H4 (0.55) | ALDH1A1TDP1NR1H4ADRB2ADRB1 | |
| SCHEMBL27615400 | 0.81 | NR1H4 (0.39) | ALDH1A1TDP1CYP3A4ALOX15NR1H4 | |
| SCHEMBL27615287 | 0.79 | CES2 (0.36) | ALDH1A1TDP1CYP3A4ALOX15NR1H4 | |
| SCHEMBL27563637 | 0.79 | GAA (0.52) | ALDH1A1CYP3A4ALOX15NR1H4SMN1; SMN2 | |
| SCHEMBL27487269 | 0.74 | POLB (0.50) | ALDH1A1TDP1NR1H4ADRB2ADRB1 | |
| SCHEMBL4030328 | 0.74 | ALDH1A1 (0.58) | ALDH1A1TDP1CYP3A4ALOX15SMN1; SMN2 | |
| SCHEMBL27449894 | 0.73 | ALDH1A1 (0.55) | ALDH1A1TDP1CYP3A4ADRB2ADRB1 |
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-100343238-C | Quinazoline derivatives as antitumor agents | ASTRAZENECA AB (SE) | 2007-10-17 | — | — | CN | disclosed |
| CN-1585754-A | Quinazoline derivatives as antitumor agents | ASTRAZENECA AB (SE) | 2005-02-23 | — | — | CN | disclosed |