Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 6/20 | 0.44 |
| ▸ | HTR7 | P34969 | 6/20 | 0.44 |
| ▸ | HTR6 | P50406 | 6/20 | 0.44 |
| ▸ | DRD2 | P14416 | 5/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.42 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 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 | |
|---|---|---|---|---|
| SCHEMBL19986534 | 0.93 | ALDH1A1 (0.46) | HTR2AHTR7HTR6DRD2MEN1 | |
| SCHEMBL19986657 | 0.89 | CCR1 (0.43) | HTR2AHTR7HTR6DRD2MEN1 | |
| SCHEMBL19986725 | 0.81 | KMT2A (0.46) | MEN1KMT2APKMMAPTHTT | |
| SCHEMBL19986473 | 0.80 | KMT2A (0.48) | MEN1KMT2APKMMAPTALDH1A1 | |
| SCHEMBL19986468 | 0.80 | MEN1 (0.44) | MEN1KMT2APKMMAPTALDH1A1 | |
| SCHEMBL26921786 | 0.76 | CYP3A4 (0.56) | HTR2AHTR7HTR6DRD2MEN1 | |
| SCHEMBL19986648 | 0.73 | KMT2A (0.50) | KMT2AHTT | |
| SCHEMBL19986707 | 0.72 | STK17A (0.35) | HTTCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL19986502 | 0.71 | KMT2A (0.60) | MEN1KMT2AMAPTHTTCYP1A2 | |
| SCHEMBL28588269 | 0.71 | CA1 (0.40) | MEN1KMT2AHTTCYP1A2CYP3A4 |
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 3 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 |
| WO-2018050110-A1 | NOVEL CAPSID PROTEIN ASSEMBLY INHIBITOR | 正大天晴药业集团股份有限公司 | 2018-03-22 | — | — | WO | disclosed |