Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | SCN1A | P35498 | 1/20 | 0.32 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | LSS | P48449 | 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 | |
|---|---|---|---|---|
| SCHEMBL30839665 | 0.79 | HRH3 (0.40) | HRH3KDM4EALDH1A1SMN1; SMN2NOS3 | |
| SCHEMBL21541905 | 0.79 | HRH3 (0.40) | HRH3KDM4EALDH1A1SMN1; SMN2NOS3 | |
| Boric Acid SCHEMBL27923833 | 0.72 | — | — | |
| SCHEMBL21541768 | 0.71 | CXCR1 (0.39) | HRH3NOS3NOS1NOS2 | |
| Boric Acid SCHEMBL28085810 | 0.69 | SLC2A1 (0.42) | KDM4EALDH1A1SMN1; SMN2TDP1CYP3A4 | |
| Boric Acid SCHEMBL27988681 | 0.67 | — | — | |
| SCHEMBL15067149 | 0.66 | RXFP1 (0.52) | ALDH1A1SMN1; SMN2LMNA | |
| Boric Acid SCHEMBL27995448 | 0.64 | CA1 (0.49) | KDM4EALDH1A1SMN1; SMN2LMNACYP3A4 | |
| SCHEMBL19959050 | 0.64 | KCNH2 (0.37) | HRH3CYP2D6CYP3A4CYP2C9 | |
| SCHEMBL15067284 | 0.64 | ATM (0.40) | KDM4EALDH1A1 |
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-110312717-A | The condensed heteroaryl tricyclic compound replaced is as kinase inhibitor and its application | 上海瑛派药业有限公司 | 2019-10-08 | — | — | CN | disclosed |