Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.49 |
| ▸ | PARP1 | P09874 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | RGS12 | O14924 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | APEX1 | P27695 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.37 |
| ▸ | MTOR | P42345 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.37 |
| ▸ | HBB | P68871 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1356289 | 0.79 | NPSR1 (0.56) | NPSR1PARP1MEN1RGS12USP2 | |
| SCHEMBL28261613 | 0.78 | PARP1 (0.57) | NPSR1PARP1MEN1RGS12USP2 | |
| SCHEMBL4555546 | 0.68 | CES1 (0.56) | NPSR1CES1TGM2PARK7 | |
| SCHEMBL26644600 | 0.67 | TGM2 (0.46) | NPSR1MEN1KMT2ACES1TGM2 | |
| SCHEMBL30872149 | 0.67 | TGM2 (0.46) | NPSR1MEN1KMT2ACES1TGM2 | |
| SCHEMBL7932433 | 0.66 | CES1 (0.42) | NPSR1MEN1RGS12POLBCYP3A4 | |
| SCHEMBL5749227 | 0.66 | NPSR1 (1.00) | NPSR1PARP1MEN1RGS12USP2 | |
| SCHEMBL31156926 | 0.66 | NPSR1 (1.00) | NPSR1PARP1MEN1RGS12USP2 | |
| SCHEMBL383829 | 0.65 | MAOA (0.63) | NPSR1PARP1CYP3A4TDP1CES1 | |
| SCHEMBL146244 | 0.64 | NPSR1 (0.45) | NPSR1PARP1MEN1RGS12USP2 |
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-109053572-B | 4-trifluoromethyl-6-bromo-2-substituted acetonitrile-1, 8-naphthalimide compound and preparation method and application thereof | 上海应用技术大学 | 2022-02-11 | — | — | CN | claimed |
| CN-109053572-B | 4-trifluoromethyl-6-bromo-2-substituted acetonitrile-1, 8-naphthalimide compound and preparation method and application thereof | 上海应用技术大学 | 2022-02-11 | — | — | CN | disclosed |