Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | FBP1 | P09467 | 2/20 | 0.40 |
| ▸ | EGFR | P00533 | 4/20 | 0.39 |
| ▸ | KDR | P35968 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.39 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.39 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.39 |
| ▸ | GAK | O14976 | 1/20 | 0.39 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL24773597 | 1.00 | KDM4E (0.48) | KDM4EKMT2AGAAFBP1EGFR | |
| SCHEMBL3197090 | 0.84 | NPC1 (0.40) | KDM4EFBP1EGFRKDRTSHR | |
| SCHEMBL30366632 | 0.82 | KDM4E (0.40) | KDM4EKMT2AGAATSHRNPC1 | |
| SCHEMBL25715298 | 0.82 | KDM4E (0.40) | KDM4EKMT2AGAATSHRNPC1 | |
| SCHEMBL16695550 | 0.82 | S1PR4 (0.37) | KDM4EKMT2AGAATSHRNPC1 | |
| SCHEMBL4799459 | 0.82 | LMNA (0.38) | KDM4EKMT2AGAANPC1RAB9A | |
| SCHEMBL4799471 | 0.82 | KDM4E (0.44) | KDM4EKMT2AGAAKDRTSHR | |
| SCHEMBL28266977 | 0.80 | ALDH1A1 (0.48) | KDM4EKMT2ATSHRNPC1RAB9A | |
| SCHEMBL25591263 | 0.75 | PRKDC (0.59) | KDM4EKMT2AGAAEGFRTSHR | |
| SCHEMBL10548030 | 0.74 | EGFR (0.44) | KMT2AGAAEGFRKDRNPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117886821-A | Nitrogen-containing condensed ring derivative inhibitor, preparation method and application thereof | 江苏豪森药业集团有限公司 | 2024-04-16 | — | — | CN | disclosed |
| CN-116514806-A | Biological inhibitor containing acrylketone, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2023-08-01 | — | — | CN | disclosed |