Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 5/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28484401 | 0.86 | — | — | |
| SCHEMBL25645222 | 0.83 | KMT2A (0.47) | KMT2AUSP2THRBHPGDTSHR | |
| SCHEMBL28497756 | 0.81 | KMT2A (0.42) | KMT2AUSP2THRBHPGDTSHR | |
| SCHEMBL22906168 | 0.81 | KMT2A (0.42) | KMT2AUSP2THRBHPGDTSHR | |
| SCHEMBL22906153 | 0.81 | KMT2A (0.42) | KMT2AUSP2THRBHPGDTSHR | |
| SCHEMBL21428269 | 0.78 | KMT2A (0.49) | KMT2AUSP2THRBHPGDTSHR | |
| SCHEMBL28898137 | 0.76 | USP2 (0.39) | KMT2AUSP2HPGDNPC1MAPT | |
| SCHEMBL22906154 | 0.76 | KMT2A (0.51) | KMT2AUSP2THRBHPGDTSHR | |
| SCHEMBL21427861 | 0.75 | KMT2A (0.54) | KMT2AUSP2THRBHPGDTSHR | |
| SCHEMBL21427864 | 0.75 | USP2 (0.55) | KMT2AUSP2THRBHPGDTSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111868026-B | Capsid protein assembly inhibitor containing N-heterocyclic five-membered ring, pharmaceutical composition and application thereof | 正大天晴药业集团股份有限公司 | 2022-11-25 | — | — | CN | disclosed |