Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA4 | P22748 | 1/20 | 0.45 |
| ▸ | CA5A | P35218 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 5/20 | 0.45 |
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.44 |
| ▸ | NPC1 | O15118 | 5/20 | 0.44 |
| ▸ | MEN1 | O00255 | 5/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL19986512 | 0.90 | MEN1 (0.54) | RAB9AALDH1A1MAPTHTTKMT2A | |
| SCHEMBL19986465 | 0.88 | PRMT3 (0.38) | RAB9APOLBALDH1A1MAPTKMT2A | |
| SCHEMBL28574430 | 0.88 | NAMPT (0.47) | RAB9AEPHX2MAPTHTTKMT2A | |
| SCHEMBL19986531 | 0.86 | MEN1 (0.44) | RAB9AALDH1A1EPHX2MAPTKMT2A | |
| SCHEMBL19986618 | 0.81 | MEN1 (0.38) | RAB9AALDH1A1MAPTHTTKMT2A | |
| SCHEMBL19986475 | 0.80 | RAB9A (0.50) | RAB9APOLBALDH1A1EPHX1EPHX2 | |
| SCHEMBL19986530 | 0.80 | ALOX15 (0.58) | RAB9APOLBALDH1A1EPHX1EPHX2 | |
| SCHEMBL19986611 | 0.79 | LMNA (0.50) | RAB9APOLBALDH1A1EPHX1EPHX2 | |
| SCHEMBL19986721 | 0.78 | RAB9A (0.45) | RAB9APOLBALDH1A1MAPTHTT | |
| SCHEMBL19986697 | 0.76 | RAB9A (0.47) | RAB9APOLBALDH1A1EPHX1EPHX2 |
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 |