Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 6/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.56 |
| ▸ | MAPT | P10636 | 4/20 | 0.56 |
| ▸ | LMNA | P02545 | 4/20 | 0.56 |
| ▸ | HTT | P42858 | 4/20 | 0.56 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.56 |
| ▸ | NPC1 | O15118 | 3/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | CASR | P41180 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL19986568 | 0.93 | EPHX1 (0.60) | MEN1KMT2AMAPTLMNAHTT | |
| SCHEMBL19986700 | 0.88 | LMNA (0.53) | MEN1KMT2AMAPTLMNANPC1 | |
| SCHEMBL19986553 | 0.84 | KMT2A (0.63) | MEN1KMT2AMAPTLMNAHTT | |
| SCHEMBL19986563 | 0.84 | MEN1 (0.53) | MEN1KMT2AMAPTLMNAHTT | |
| SCHEMBL19986622 | 0.83 | NPC1 (0.51) | MEN1KMT2AMAPTLMNAHTT | |
| SCHEMBL19986445 | 0.81 | MEN1 (0.50) | MEN1KMT2AMAPTLMNAHTT | |
| SCHEMBL19986701 | 0.81 | MARS1 (0.59) | MEN1KMT2ALMNAHTTEPHX1 | |
| SCHEMBL19986540 | 0.80 | RAB9A (0.47) | MEN1KMT2AMAPTLMNAHTT | |
| SCHEMBL19986712 | 0.80 | MEN1 (0.47) | MEN1KMT2AMAPTLMNAHTT | |
| SCHEMBL19986506 | 0.79 | MEN1 (0.43) | MEN1KMT2AMAPTLMNAHTT |
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 |