Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 4/20 | 0.56 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.56 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.56 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.56 |
| ▸ | BRD4 | O60885 | 7/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL24966011 | 1.00 | GABRA1 (0.56) | GABRA1GABRB2CYP1A2CYP3A4CYP11B1 | |
| SCHEMBL18115981 | 0.87 | CYP1A2 (0.58) | GABRA1GABRB2CYP1A2CYP3A4CYP11B1 | |
| SCHEMBL24966010 | 0.86 | BRD4 (0.43) | GABRA1GABRB2CYP1A2CYP3A4CYP11B1 | |
| SCHEMBL24966702 | 0.85 | BRD4 (0.43) | GABRA1GABRB2CYP1A2CYP3A4CYP11B1 | |
| SCHEMBL24967297 | 0.84 | BRD4 (0.46) | GABRA1GABRB2CYP1A2CYP3A4CYP11B1 | |
| SCHEMBL24966158 | 0.83 | BRD4 (0.53) | BRD4TDP1ALDH1A1 | |
| SCHEMBL24966699 | 0.82 | BRD4 (0.46) | GABRA1GABRB2CYP1A2CYP3A4CYP11B1 | |
| SCHEMBL24966150 | 0.82 | BRD4 (0.44) | GABRA1GABRB2CYP1A2CYP3A4CYP11B1 | |
| SCHEMBL24966204 | 0.81 | BRD4 (0.52) | GABRA1GABRB2CYP1A2CYP3A4CYP11B1 | |
| SCHEMBL24966012 | 0.80 | CYP1A2 (0.50) | GABRA1GABRB2CYP1A2CYP3A4CYP11B1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021068943-A1 | SUBSTITUTED NITROGEN HETEROCYCLIC COMPOUND AND ANESTHETIC EFFECT THEREOF | 成都麻沸散医药科技有限公司 | 2021-04-15 | — | — | WO | disclosed |