Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.36 |
| ▸ | NQO2 | P16083 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28514841 | 0.79 | TAAR1 (0.41) | KMT2A | |
| SCHEMBL5830948 | 0.73 | GPR84 (0.59) | SIGMAR1CYP1A2CYP2C19CYP2D6GPR84 | |
| SCHEMBL9800436 | 0.73 | CYP1A2 (0.58) | SIGMAR1CYP1A2CYP2C19CYP2D6GPR84 | |
| SCHEMBL6680540 | 0.73 | SIGMAR1 (0.47) | SIGMAR1CYP1A2CYP2C19CYP2D6GPR84 | |
| SCHEMBL6683492 | 0.73 | SIGMAR1 (0.47) | SIGMAR1CYP1A2CYP2C19CYP2D6GPR84 | |
| SCHEMBL16933925 | 0.73 | SIGMAR1 (0.47) | SIGMAR1CYP1A2CYP2C19CYP2D6GPR84 | |
| SCHEMBL28904693 | 0.72 | CNR2 (0.40) | TDP1 | |
| SCHEMBL9518025 | 0.71 | SIGMAR1 (0.46) | SIGMAR1CYP1A2CYP2C19GPR84MCL1 | |
| SCHEMBL7278105 | 0.70 | SIGMAR1 (0.51) | SIGMAR1CYP1A2CYP2C19CYP2D6TDP1 | |
| SCHEMBL6685047 | 0.70 | SIGMAR1 (0.44) | SIGMAR1CYP1A2CYP2C19CYP2D6GPR84 |
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 |