Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8048638 | 0.98 | SMN1; SMN2 (0.40) | CES2CES1SMN1; SMN2ALDH1A1HDAC8 | |
| SCHEMBL28674387 | 0.93 | SMN1; SMN2 (0.43) | CES2CES1SMN1; SMN2ALDH1A1CHRM2 | |
| SCHEMBL2048720 | 0.88 | — | — | |
| SCHEMBL14676392 | 0.79 | CES2 (0.46) | CES2CES1SMN1; SMN2ALDH1A1HDAC8 | |
| SCHEMBL14323462 | 0.78 | SMN1; SMN2 (0.44) | CES2CES1SMN1; SMN2ALDH1A1HDAC8 | |
| SCHEMBL20599575 | 0.78 | SMN1; SMN2 (0.37) | CES2CES1SMN1; SMN2ALDH1A1HDAC8 | |
| SCHEMBL29143592 | 0.77 | SMN1; SMN2 (0.40) | CES2CES1SMN1; SMN2ALDH1A1HDAC8 | |
| SCHEMBL28236121 | 0.77 | ALDH1A1 (0.44) | CES2CES1SMN1; SMN2ALDH1A1HDAC8 | |
| SCHEMBL3028991 | 0.77 | HTT (0.31) | HTT | |
| SCHEMBL13479880 | 0.76 | CES2 (0.42) | CES2CES1SMN1; SMN2ALDH1A1HDAC8 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111217711-B | Method for separating and purifying N- (4-vinyl benzyl) -N, N-dimethyl amine | 浙江大学 | 2021-06-29 | — | — | CN | disclosed |
| CN-111217711-A | Method for separating and purifying N- (4-vinyl benzyl) -N, N-dimethyl amine | 浙江大学 | 2020-06-02 | — | — | CN | disclosed |
| EP-0991658-A1 | DOLASTATIN 15 DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2000-04-12 | — | — | EP | disclosed |
| WO-1999003879-A1 | DOLASTATIN 15 DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 1999-01-28 | — | — | WO | disclosed |
| US-4225704-A | Preparation of halogenovinyl-substituted tetra-hydrofuran-2-ones | BAYER AKTIENGESELLSCHAFT (DE) | 1980-09-30 | — | — | US | disclosed |