Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | AR | P10275 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | EIF4E | P06730 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.42 |
| ▸ | FEN1 | P39748 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.41 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.41 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2311283 | 0.89 | MAPT (0.58) | BACE1TDP1TSHRAREIF4E | |
| SCHEMBL29878607 | 0.83 | MAPT (0.50) | BACE1TDP1TSHRARMAPK1 | |
| SCHEMBL15522962 | 0.81 | TDP1 (0.50) | BACE1TDP1TSHRMAPK1EIF4E | |
| SCHEMBL29655215 | 0.81 | TDP1 (0.50) | BACE1TDP1TSHRMAPK1EIF4E | |
| SCHEMBL2313153 | 0.80 | ALDH1A1 (0.44) | BACE1TDP1ARMAPK1EIF4E | |
| SCHEMBL11900334 | 0.78 | BACE1 (0.56) | BACE1TDP1TSHRARMAPK1 | |
| SCHEMBL29655141 | 0.78 | BACE1 (0.56) | BACE1TDP1TSHRARMAPK1 | |
| SCHEMBL2309293 | 0.78 | CTSB (0.48) | BACE1TDP1ARMAPK1EIF4E | |
| SCHEMBL27542162 | 0.78 | EIF4E (0.42) | BACE1TDP1TSHRARMAPK1 | |
| SCHEMBL12844121 | 0.77 | MAPT (0.47) | TDP1AREIF4EMAPTPOLB |
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 |