Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.56 |
| ▸ | AR | P10275 | 1/20 | 0.54 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.50 |
| ▸ | FEN1 | P39748 | 1/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.49 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | SCN9A | Q15858 | 4/20 | 0.45 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.44 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11900334 | 1.00 | BACE1 (0.56) | BACE1ARALOX5APFEN1TRPA1 | |
| SCHEMBL5844871 | 0.84 | BACE1 (0.52) | BACE1ARALOX5APFEN1TRPA1 | |
| SCHEMBL22453119 | 0.84 | BACE1 (0.52) | BACE1ARALOX5APFEN1TRPA1 | |
| SCHEMBL29518515 | 0.81 | BACE1 (0.49) | BACE1ARALOX5APFEN1TRPA1 | |
| SCHEMBL2313436 | 0.80 | AR (0.49) | BACE1ARALOX5APFEN1TRPA1 | |
| SCHEMBL22304414 | 0.80 | AR (0.58) | BACE1ARALOX5APFEN1TRPA1 | |
| SCHEMBL10399552 | 0.79 | BACE1 (0.47) | BACE1ARALOX5APFEN1TRPA1 | |
| SCHEMBL2787163 | 0.79 | BACE1 (0.53) | BACE1ARALOX5APFEN1TRPA1 | |
| SCHEMBL2311283 | 0.78 | MAPT (0.58) | BACE1ARALOX5APFEN1TRPA1 | |
| SCHEMBL3398486 | 0.78 | SCN9A (0.53) | BACE1ARALOX5APFEN1TRPA1 |
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-109843874-B | Phthalazine derivatives useful as inhibitors of PARP1, PARP2 and/or tubulin for the treatment of cancer | 加利福尼亚大学董事会 | 2022-05-27 | — | — | CN | disclosed |