Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 8/20 | 0.46 |
| ▸ | TP53 | P04637 | 6/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.46 |
| ▸ | THPO | P40225 | 3/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.46 |
| ▸ | FPR2 | P25090 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | CSNK1A1 | P48729 | 2/20 | 0.46 |
| ▸ | MTOR | P42345 | 1/20 | 0.46 |
| ▸ | MYLK | Q15746 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | MEN1 | O00255 | 5/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | PMP22 | Q01453 | 3/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL19986725 | 0.76 | KMT2A (0.46) | CYP3A4TP53CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL13189148 | 0.73 | GSTO1 (0.55) | CYP3A4TP53CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL9850210 | 0.73 | CA12 (0.59) | CYP3A4TP53CYP1A2CYP2C19CYP2C9 | |
| Hydrochloric Acid SCHEMBL7402085 | 0.72 | CYP3A4 (0.72) | CYP3A4TP53CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL13296442 | 0.71 | CYP3A4 (0.65) | CYP3A4TP53CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL21569857 | 0.71 | TAAR1 (0.51) | CYP3A4TP53CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL31014182 | 0.70 | CYP3A4 (0.72) | CYP3A4TP53CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL2949015 | 0.70 | FABP4 (0.57) | KDM4EALDH1A1NPSR1LMNATHRB | |
| SCHEMBL27476129 | 0.70 | POLB (0.58) | CYP3A4CYP1A2CYP2C19CYP2C9MAPK1 | |
| SCHEMBL23862588 | 0.70 | ALDH1A1 (0.49) | CYP3A4TP53CYP1A2CYP2C19CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113429341-A | Novel capsid protein assembly inhibitors | 正大天晴药业集团股份有限公司 | 2021-09-24 | — | — | CN | disclosed |
| CN-109790123-B | Novel capsid protein assembly inhibitors | 正大天晴药业集团股份有限公司 | 2021-06-25 | — | — | CN | disclosed |