Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | GPR3 | P46089 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | NQO2 | P16083 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29266161 | 1.00 | SIGMAR1 (0.45) | SIGMAR1RELABCHEGPR3HDAC1 | |
| SCHEMBL30969698 | 1.00 | SIGMAR1 (0.45) | SIGMAR1RELABCHEGPR3HDAC1 | |
| SCHEMBL29266167 | 0.99 | SIGMAR1 (0.48) | SIGMAR1RELABCHEHDAC1HDAC8 | |
| SCHEMBL29266153 | 0.99 | SIGMAR1 (0.48) | SIGMAR1RELABCHEHDAC1HDAC8 | |
| SCHEMBL29266162 | 0.95 | ESR1 (0.43) | ALDH1A1 | |
| SCHEMBL29266159 | 0.95 | ESR1 (0.43) | ALDH1A1 | |
| SCHEMBL15465910 | 0.94 | RELA (0.49) | RELABCHENQO2ALDH1A1GLA | |
| SCHEMBL5551483 | 0.94 | RELA (0.49) | RELABCHENQO2ALDH1A1GLA | |
| SCHEMBL5548831 | 0.93 | RELA (0.50) | RELABCHENQO2ALDH1A1GLA | |
| SCHEMBL4759062 | 0.89 | SIGMAR1 (0.54) | SIGMAR1BCHEGPR3HDAC1HDAC8 |
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-118307384-A | Asymmetric acene derivative semiconductor material and preparation method and application thereof | 中国科学院化学研究所 | 2024-07-09 | — | — | CN | disclosed |