Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | MARS1 | P56192 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 5/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | CNR1 | P21554 | 1/20 | 0.48 |
| ▸ | GRK2 | P25098 | 1/20 | 0.47 |
| ▸ | GRK5 | P34947 | 1/20 | 0.47 |
| ▸ | GRK3 | P35626 | 1/20 | 0.47 |
| ▸ | NAMPT | P43490 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | MTOR | P42345 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL19986701 | 0.93 | MARS1 (0.59) | LMNAMARS1RAB9AKMT2AMEN1 | |
| SCHEMBL19986628 | 0.88 | MEN1 (0.56) | LMNARAB9AKMT2AMEN1NPC1 | |
| SCHEMBL19986699 | 0.86 | LMNA (0.53) | LMNAMARS1RAB9AKMT2AMEN1 | |
| SCHEMBL19986445 | 0.84 | MEN1 (0.50) | LMNARAB9AKMT2AMEN1NPC1 | |
| SCHEMBL19986563 | 0.84 | MEN1 (0.53) | LMNAKMT2AMEN1NPC1CNR1 | |
| SCHEMBL19986553 | 0.84 | KMT2A (0.63) | LMNARAB9AKMT2AMEN1NPC1 | |
| SCHEMBL19986506 | 0.81 | MEN1 (0.43) | LMNAKMT2AMEN1NPC1CNR1 | |
| SCHEMBL19986568 | 0.81 | EPHX1 (0.60) | LMNAMARS1RAB9AKMT2AMEN1 | |
| SCHEMBL19986705 | 0.78 | MARS1 (0.47) | LMNAMARS1KMT2AMEN1CNR1 | |
| SCHEMBL19986502 | 0.78 | KMT2A (0.60) | LMNARAB9AKMT2AMEN1NPC1 |
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 |