Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | PLAU | P00749 | 1/20 | 0.38 |
| ▸ | SLC12A2 | P55011 | 1/20 | 0.38 |
| ▸ | SLC12A5 | Q9H2X9 | 1/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.38 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19986473 | 0.90 | KMT2A (0.48) | KMT2AALDH1A1RAB9ALMNAMEN1 | |
| SCHEMBL19986725 | 0.81 | KMT2A (0.46) | KMT2AALDH1A1RAB9ALMNAMEN1 | |
| SCHEMBL19986657 | 0.79 | CCR1 (0.43) | KMT2AALDH1A1LMNAMEN1CYP3A4 | |
| SCHEMBL19986720 | 0.71 | RAB9A (0.49) | KMT2AALDH1A1RAB9ALMNAMEN1 | |
| SCHEMBL28588269 | 0.71 | CA1 (0.40) | KMT2ARAB9ALMNAMEN1CYP3A4 | |
| SCHEMBL19986468 | 0.71 | MEN1 (0.44) | KMT2AALDH1A1RAB9ALMNAMEN1 | |
| SCHEMBL19986534 | 0.70 | ALDH1A1 (0.46) | KMT2AALDH1A1MEN1CYP3A4CYP2C9 | |
| SCHEMBL19986706 | 0.68 | HTR2A (0.44) | KMT2AALDH1A1MEN1CYP3A4CYP2C9 | |
| SCHEMBL25382079 | 0.66 | KMT2A (0.54) | KMT2AALDH1A1RAB9ALMNAMEN1 | |
| SCHEMBL21960093 | 0.66 | ALDH1A1 (0.54) | KMT2AALDH1A1LMNACYP2C19HTT |
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 |