Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | HRH1 | P35367 | 2/20 | 0.33 |
| ▸ | HTR1B | P28222 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | HTR1D | P28221 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28203567 | 0.96 | KDM4E (0.43) | KDM4ECYP3A4MAPTTAAR1ATM | |
| Methylethylamine SCHEMBL14666 | 0.85 | — | — | |
| Biphenyl SCHEMBL5716330 | 0.80 | ALDH1A1 (0.53) | KDM4ECYP3A4MAPTTAAR1ATM | |
| Pyridine SCHEMBL28879602 | 0.80 | TSHR (0.53) | MAPTTAAR1MEN1KMT2ATSHR | |
| Methylethylamine SCHEMBL23451683 | 0.80 | — | — | |
| Methylethylamine SCHEMBL21404234 | 0.80 | — | — | |
| Methylethylamine SCHEMBL20507023 | 0.80 | — | — | |
| Methylethylamine SCHEMBL20584249 | 0.80 | TP53 (0.42) | TP53MEN1KMT2AEPHX1 | |
| Methylethylamine SCHEMBL21352603 | 0.80 | — | — | |
| Methylethylamine SCHEMBL19358922 | 0.80 | — | — |
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-110452169-B | Method for constructing tetrahydroisoquinoline compounds | 中国科学院福建物质结构研究所 | 2021-02-19 | — | — | CN | disclosed |