Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.56 |
| ▸ | HTR1B | P28222 | 5/20 | 0.50 |
| ▸ | EPM2A | O95278 | 1/20 | 0.42 |
| ▸ | PTPRC | P08575 | 1/20 | 0.42 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.42 |
| ▸ | CDC14A | Q9UNH5 | 1/20 | 0.42 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.42 |
| ▸ | CTNNB1 | P35222 | 4/20 | 0.42 |
| ▸ | WNT3A | P56704 | 4/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.41 |
| ▸ | CDK9 | P50750 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6186816 | 1.00 | CYP2A6 (0.56) | CYP2A6HTR1BEPM2APTPRCPTPN6 | |
| SCHEMBL29950798 | 0.85 | CHRM2 (0.56) | CYP2A6HTR1BEPM2APTPRCPTPN6 | |
| SCHEMBL29956802 | 0.84 | CYP2A6 (0.51) | CYP2A6HTR1BEPM2APTPRCPTPN6 | |
| SCHEMBL29016999 | 0.83 | HTR1B (0.53) | CYP2A6HTR1BEPM2APTPRCPTPN6 | |
| SCHEMBL29016969 | 0.80 | HTR1B (0.51) | CYP2A6HTR1BEPM2APTPRCPTPN6 | |
| SCHEMBL5718336 | 0.80 | HTR1B (0.57) | CYP2A6HTR1BEPM2APTPRCPTPN6 | |
| SCHEMBL27689608 | 0.80 | HTR1B (0.53) | CYP2A6HTR1BEPM2APTPRCPTPN6 | |
| SCHEMBL6509518 | 0.79 | CYP2A6 (0.50) | CYP2A6HTR1BEPM2APTPRCPTPN6 | |
| SCHEMBL9115039 | 0.78 | HTR1B (0.44) | CYP2A6HTR1BEPM2APTPRCPTPN6 | |
| SCHEMBL12344285 | 0.77 | CYP2A6 (0.45) | CYP2A6HTR1BEPM2APTPRCPTPN6 |
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-119371411-A | Phenyl fused ring compounds and their use in the central nervous system | 乐普（北京）医疗器械股份有限公司 | 2025-01-28 | — | — | CN | disclosed |
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |