Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 7/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 7/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.42 |
| ▸ | MEN1 | O00255 | 5/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL19986539 | 0.91 | LMNA (0.58) | RAB9AALDH1A1LMNANPC1MAPT | |
| SCHEMBL19986666 | 0.89 | LMNA (0.39) | RAB9AALDH1A1LMNAOPRL1MAPT | |
| SCHEMBL19986540 | 0.87 | RAB9A (0.47) | RAB9AALDH1A1EPHX1EPHX2LMNA | |
| SCHEMBL19986723 | 0.87 | MEN1 (0.42) | ALDH1A1LMNAMAPTKMT2AMEN1 | |
| SCHEMBL19986611 | 0.85 | LMNA (0.50) | RAB9AALDH1A1EPHX1EPHX2LMNA | |
| SCHEMBL19986475 | 0.84 | RAB9A (0.50) | RAB9AALDH1A1EPHX1EPHX2LMNA | |
| SCHEMBL19986530 | 0.77 | ALOX15 (0.58) | RAB9AALDH1A1EPHX1EPHX2LMNA | |
| SCHEMBL19986720 | 0.76 | RAB9A (0.49) | RAB9AALDH1A1EPHX1EPHX2LMNA | |
| SCHEMBL19986510 | 0.76 | LMNA (0.65) | RAB9AALDH1A1LMNANPC1MAPT | |
| SCHEMBL19986463 | 0.75 | LMNA (0.60) | RAB9AALDH1A1LMNANPC1MAPT |
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 |