Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.32 |
| ▸ | PTGFR | P43088 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 2/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | CTBP2 | P56545 | 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 | |
|---|---|---|---|---|
| SCHEMBL28285553 | 0.84 | TAAR1 (0.43) | TAAR1CYP19A1ALDH1A1CHRM2P2RX7 | |
| SCHEMBL28905479 | 0.79 | SIGMAR1 (0.43) | KMT2A | |
| SCHEMBL28267259 | 0.78 | SIGMAR1 (0.39) | — | |
| SCHEMBL28498546 | 0.78 | TDP1 (0.40) | TAAR1ALDH1A1 | |
| SCHEMBL28508147 | 0.77 | KDM4E (0.35) | — | |
| SCHEMBL28268997 | 0.77 | TAAR1 (0.37) | TAAR1CYP19A1ALDH1A1CHRM2P2RX7 | |
| SCHEMBL28268999 | 0.77 | TAAR1 (0.37) | TAAR1CYP19A1ALDH1A1CHRM2P2RX7 | |
| SCHEMBL28604372 | 0.75 | ALDH1A1 (0.37) | TAAR1ALDH1A1MEN1KMT2A | |
| SCHEMBL28504150 | 0.75 | CSNK1E (0.38) | ALDH1A1MEN1KMT2A | |
| SCHEMBL28498306 | 0.75 | TAAR1 (0.42) | TAAR1CYP19A1ALDH1A1MEN1KMT2A |
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-109111333-B | Chiral gem-disilyl alkane compound and synthesis method and application thereof | 浙江大学 | 2021-01-08 | — | — | CN | disclosed |