Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 3/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30564389 | 0.76 | PTGS2 (0.39) | NQO1PTGS2 | |
| SCHEMBL30564427 | 0.67 | NQO1 (0.54) | NQO1KDM4ESMN1; SMN2CYP3A4ALOX15 | |
| SCHEMBL30564416 | 0.65 | NQO1 (0.37) | NQO1PTGS1PTGS2TP53MAPT | |
| SCHEMBL30307553 | 0.65 | ELANE (0.46) | NQO1TP53MAPTKDM4ESMN1; SMN2 | |
| SCHEMBL3456496 | 0.65 | MAOA (0.50) | TP53MAPTKDM4ESMN1; SMN2CYP3A4 | |
| SCHEMBL13423056 | 0.64 | MAPT (0.42) | NQO1PTGS1PTGS2TP53MAPT | |
| SCHEMBL30889653 | 0.63 | ELANE (0.48) | MAPTELANENPC1RAB9AMAP2K7 | |
| SCHEMBL11796654 | 0.63 | ELANE (0.44) | MAPTKDM4ECYP3A4LMNAPOLB | |
| SCHEMBL23886990 | 0.63 | ESR1 (0.36) | ELANE | |
| SCHEMBL4572609 | 0.63 | ALDH1A1 (0.37) | NQO1MAPTKDM4ESMN1; SMN2LMNA |
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-116715658-A | Benzocyclic ketone derivative regulator, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2023-09-08 | — | — | CN | disclosed |