Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | BCHE | P06276 | 2/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | TRPC3 | Q13507 | 1/20 | 0.43 |
| ▸ | TRPC4 | Q9UBN4 | 1/20 | 0.43 |
| ▸ | TRPC5 | Q9UL62 | 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 | |
|---|---|---|---|---|
| SCHEMBL28152178 | 1.00 | PARP1 (0.54) | PARP1POLBBCHEACHEPKM | |
| Hydrochloric Acid SCHEMBL28153290 | 0.99 | PARP1 (0.53) | PARP1POLBBCHEACHEPKM | |
| Hydrochloric Acid SCHEMBL28332556 | 0.99 | PARP1 (0.53) | PARP1POLBBCHEACHEPKM | |
| SCHEMBL28153243 | 0.93 | PARP1 (0.62) | PARP1POLBBCHEACHEPKM | |
| SCHEMBL662615 | 0.93 | PARP1 (0.62) | PARP1POLBBCHEACHEPKM | |
| Hydrochloric Acid SCHEMBL28152174 | 0.92 | PARP1 (0.61) | PARP1POLBBCHEACHEPKM | |
| Hydrochloric Acid SCHEMBL28152171 | 0.92 | PARP1 (0.61) | PARP1POLBBCHEACHEPKM | |
| SCHEMBL666402 | 0.89 | PARP1 (0.57) | PARP1POLBBCHEACHEPKM | |
| SCHEMBL663082 | 0.89 | PARP1 (0.57) | PARP1POLBBCHEACHEPKM | |
| SCHEMBL663273 | 0.84 | POLB (0.52) | PARP1POLBBCHEACHEPKM |
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-106928126-B | Amide derivative, preparation method and pharmaceutical application thereof | 四川海思科制药有限公司 | 2019-12-20 | — | — | CN | disclosed |
| CN-106928126-A | A kind of amide derivatives and preparation method thereof and application pharmaceutically | 四川海思科制药有限公司 | 2017-07-07 | — | — | CN | disclosed |