Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | THRB | P10828 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | SCN5A | Q14524 | 3/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.41 |
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL424974 | 0.95 | DHFR (0.46) | DHFRKMT2AGAAMAPTTDP1 | |
| SCHEMBL30487707 | 0.87 | GRM5 (0.44) | DHFRKMT2AGAAMAPTTDP1 | |
| SCHEMBL12879673 | 0.87 | GRM5 (0.44) | DHFRKMT2AGAAMAPTTDP1 | |
| SCHEMBL30753710 | 0.82 | ALDH1A1 (0.50) | DHFRKMT2AGAAMAPTTDP1 | |
| SCHEMBL27626432 | 0.81 | DHFR (0.44) | DHFRKMT2AGAAMAPTTDP1 | |
| SCHEMBL711648 | 0.81 | GRM5 (0.47) | DHFRGAAMAPTTDP1GRM5 | |
| SCHEMBL29993511 | 0.81 | GRM5 (0.47) | DHFRGAAMAPTTDP1GRM5 | |
| SCHEMBL10904140 | 0.80 | DHFR (0.43) | DHFRKMT2AGAAMAPTTDP1 | |
| SCHEMBL14381404 | 0.79 | THRB (0.52) | THRBALDH1A1 | |
| SCHEMBL30418021 | 0.79 | MAOA (0.51) | KMT2ATHRBMAPTALDH1A1MAOB |
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-114634432-B | High-efficiency synthesis method of alkyl aryl thioether compound | 润药仁智(北京)科技有限公司 | 2023-03-14 | — | — | CN | disclosed |