Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | SCN5A | Q14524 | 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 | |
|---|---|---|---|---|
| Tetrabuthylammonium SCHEMBL1826223 | 0.83 | MEN1 (0.38) | LMNAMEN1KMT2ASMN1; SMN2HTT | |
| SCHEMBL1827236 | 0.81 | CES2 (0.48) | CYP1A2ALDH1A1CES2CES1 | |
| Butylamine SCHEMBL19834169 | 0.80 | ALDH1A1 (0.44) | TAAR1LMNASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL3300798 | 0.79 | CES2 (0.46) | CYP1A2ALDH1A1CES2CES1 | |
| SCHEMBL30097988 | 0.79 | CES2 (0.46) | CYP1A2ALDH1A1CES2CES1 | |
| SCHEMBL1583590 | 0.79 | CES2 (0.46) | CYP1A2ALDH1A1CES2CES1 | |
| Butylamine SCHEMBL19834144 | 0.79 | GABBR2 (0.39) | TAAR1LMNAMEN1KMT2ASMN1; SMN2 | |
| Butylamine SCHEMBL31036023 | 0.79 | ALDH1A1 (0.43) | TAAR1LMNASMN1; SMN2CYP1A2CYP3A4 | |
| Butylamine SCHEMBL3152634 | 0.78 | SMN1; SMN2 (0.41) | SMN1; SMN2CES2CES1 | |
| Ammonia Solution, Strong SCHEMBL28095648 | 0.72 | PTGDR2 (0.36) | LMNAMEN1KMT2ASMN1; SMN2HTT |
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-104781218-B | Polymerisable spirobiindene monomer and polymer prepared therefrom | 3M创新有限公司 | 2016-10-26 | — | — | CN | disclosed |