Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NQO1 | P15559 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23916174 | 0.76 | LTA4H (0.33) | CA12CA1CA2CA7CA9 | |
| SCHEMBL22077835 | 0.73 | MAPT (0.39) | CA12CA1CA2CA7CA9 | |
| SCHEMBL23916351 | 0.70 | CA1 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL24222051 | 0.68 | CA1 (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL22074459 | 0.66 | POLB (0.47) | MAPTCYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL23916350 | 0.63 | CA1 (0.36) | CA12CA1CA2CA7CA9 | |
| SCHEMBL23386297 | 0.60 | TP53 (0.35) | CA12CA1CA2CA7CA9 | |
| 1-Methoxy-4-Ethoxybenzene SCHEMBL354674 | 0.59 | NQO1 (0.78) | CA12CA1CA2CA7CA9 | |
| 1,4-Dimethoxybenzene SCHEMBL21802643 | 0.58 | CA1 (1.00) | CA12CA1CA2CA7CA9 | |
| 1,4-Dimethoxybenzene SCHEMBL8489 | 0.58 | CA1 (1.00) | CA12CA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3892616-A1 | AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE | Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) | 2021-10-13 | — | — | EP | disclosed |