Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 4/20 | 0.41 |
| ▸ | HTR7 | P34969 | 4/20 | 0.41 |
| ▸ | HTR6 | P50406 | 4/20 | 0.41 |
| ▸ | DRD2 | P14416 | 3/20 | 0.41 |
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 | 0.92 | KMT2A (0.46) | CCR1KMT2AMEN1MAPTPKM | |
| SCHEMBL19986706 | 0.89 | HTR2A (0.44) | KMT2AMEN1MAPTPKMHTT | |
| SCHEMBL19986534 | 0.81 | ALDH1A1 (0.46) | KMT2AMEN1MAPTPKMCYP1A2 | |
| SCHEMBL19986538 | 0.79 | KMT2A (0.60) | KMT2AMEN1MAPTHTTCYP1A2 | |
| SCHEMBL10781482 | 0.75 | ALDH1A1 (0.57) | CCR1KMT2AMEN1MAPTPKM | |
| SCHEMBL5320613 | 0.72 | KMT2A (0.51) | CCR1KMT2AMEN1MAPTHTT | |
| SCHEMBL10904392 | 0.71 | ALDH1A1 (0.49) | CCR1KMT2AMEN1PKMCYP1A2 | |
| SCHEMBL9870626 | 0.70 | FABP4 (0.68) | PKMALDH1A1LMNATBXAS1 | |
| SCHEMBL19986658 | 0.70 | HAO1 (0.35) | KMT2AHTTALDH1A1L3MBTL1 | |
| SCHEMBL19986530 | 0.69 | ALOX15 (0.58) | KMT2AMEN1MAPTHTTALDH1A1 |
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 |