Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.49 |
| ▸ | MEN1 | O00255 | 6/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL19986606 | 0.99 | ALDH1A1 (0.53) | ALDH1A1KMT2AMEN1NPC1LMNA | |
| SCHEMBL19986693 | 0.99 | ALDH1A1 (0.53) | ALDH1A1KMT2AMEN1NPC1LMNA | |
| SCHEMBL19986646 | 0.98 | ALDH1A1 (0.49) | ALDH1A1KMT2AMEN1NPC1LMNA | |
| SCHEMBL19986602 | 0.91 | KMT2A (0.47) | ALDH1A1KMT2AMEN1NPC1LMNA | |
| SCHEMBL19986542 | 0.89 | KMT2A (0.48) | ALDH1A1KMT2AMEN1NPC1LMNA | |
| SCHEMBL19986634 | 0.87 | KMT2A (0.41) | ALDH1A1KMT2AMEN1NPC1LMNA | |
| SCHEMBL19986517 | 0.85 | KMT2A (0.48) | ALDH1A1KMT2AMEN1NPC1LMNA | |
| SCHEMBL19986711 | 0.84 | ALDH1A1 (0.48) | ALDH1A1KMT2AMEN1NPC1LMNA | |
| SCHEMBL19986667 | 0.84 | ALDH1A1 (0.48) | ALDH1A1KMT2AMEN1NPC1LMNA | |
| SCHEMBL19986553 | 0.81 | KMT2A (0.63) | ALDH1A1KMT2AMEN1NPC1LMNA |
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 |