Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 4/20 | 0.52 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.51 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 4/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | CA5A | P35218 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL19986669 | 0.89 | MEN1 (0.48) | ALOX15HSD17B10RAB9AEPHX2LMNA | |
| SCHEMBL19986502 | 0.89 | KMT2A (0.60) | ALOX15HSD17B10RAB9AEPHX2NPC1 | |
| SCHEMBL19986714 | 0.87 | ALOX15 (0.43) | ALOX15HSD17B10RAB9AEPHX2EPHX1 | |
| SCHEMBL19986566 | 0.87 | MEN1 (0.51) | ALOX15HSD17B10EPHX2EPHX1NPC1 | |
| SCHEMBL19986568 | 0.85 | EPHX1 (0.60) | RAB9AEPHX2EPHX1NPC1LMNA | |
| SCHEMBL19986712 | 0.85 | MEN1 (0.47) | EPHX1LMNAALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL19986701 | 0.83 | MARS1 (0.59) | RAB9AEPHX2EPHX1NPC1LMNA | |
| SCHEMBL19986445 | 0.81 | MEN1 (0.50) | ALOX15HSD17B10RAB9ANPC1LMNA | |
| SCHEMBL19986578 | 0.81 | MEN1 (0.41) | ALOX15HSD17B10EPHX2EPHX1LMNA | |
| SCHEMBL19986553 | 0.81 | KMT2A (0.63) | RAB9ANPC1LMNAALDH1A1CA2 |
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 |