Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | FLT4 | P35916 | 1/20 | 0.39 |
| ▸ | MARS1 | P56192 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CNR1 | P21554 | 3/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19986506 | 0.93 | MEN1 (0.43) | MEN1KMT2AALOX15HSD17B10CYP1A2 | |
| SCHEMBL19986566 | 0.88 | MEN1 (0.51) | MEN1KMT2AMARS1ALOX15HSD17B10 | |
| SCHEMBL19986669 | 0.88 | MEN1 (0.48) | MEN1KMT2AMARS1ALOX15HSD17B10 | |
| SCHEMBL19986712 | 0.86 | MEN1 (0.47) | MEN1KMT2ACDK2FLT4MARS1 | |
| SCHEMBL19986714 | 0.86 | ALOX15 (0.43) | MEN1KMT2ACDK2FLT4MARS1 | |
| SCHEMBL19986705 | 0.86 | MARS1 (0.47) | MEN1KMT2AMARS1ALOX15HSD17B10 | |
| SCHEMBL19986502 | 0.86 | KMT2A (0.60) | MEN1KMT2AALOX15HSD17B10CYP1A2 | |
| SCHEMBL19986701 | 0.82 | MARS1 (0.59) | MEN1KMT2ACDK2FLT4MARS1 | |
| SCHEMBL19986530 | 0.81 | ALOX15 (0.58) | MEN1KMT2AALOX15HSD17B10EPHX2 | |
| SCHEMBL19986671 | 0.81 | EPHX2 (0.49) | MEN1KMT2AALOX15HSD17B10CYP1A2 |
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 |