Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR3 | Q99500 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | SNCA | P37840 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | PARP1 | P09874 | 1/20 | 0.30 |
| ▸ | CASR | P41180 | 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 | |
|---|---|---|---|---|
| SCHEMBL8958833 | 0.87 | ALDH1A1 (0.36) | S1PR3HSD17B10SNCAALDH1A1LMNA | |
| SCHEMBL9010034 | 0.83 | PTGS2 (0.38) | S1PR3HSD17B10SNCAALDH1A1LMNA | |
| SCHEMBL872698 | 0.82 | ALDH1A1 (0.38) | S1PR3HSD17B10SNCAALDH1A1LMNA | |
| SCHEMBL10596213 | 0.81 | ALDH1A1 (0.41) | HSD17B10SNCAALDH1A1LMNAGAA | |
| SCHEMBL900004 | 0.79 | GAA (0.38) | S1PR3HSD17B10SNCAALDH1A1LMNA | |
| SCHEMBL1607370 | 0.79 | S1PR3 (0.43) | S1PR3ALDH1A1LMNAMAPTCYP1A2 | |
| SCHEMBL775810 | 0.79 | TAAR1 (0.38) | HSD17B10SNCAALDH1A1LMNAGAA | |
| SCHEMBL29006523 | 0.78 | PTGS2 (0.45) | S1PR3SNCA | |
| SCHEMBL8664631 | 0.78 | AOC2 (0.36) | S1PR3SNCAALDH1A1HTT | |
| SCHEMBL5861877 | 0.78 | AOC2 (0.36) | S1PR3SNCAALDH1A1HTT |
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-108779079-A | New fluorination quinazoline derivant as EGFR inhibitor | 特里乌姆治疗公司 | 2018-11-09 | — | — | CN | disclosed |