Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | AOC2 | O75106 | 2/20 | 0.36 |
| ▸ | MAOA | P21397 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Formic Acid SCHEMBL27418258 | 0.85 | LTA4H (0.43) | SRCKMT2ALMNAGAAAOC2 | |
| SCHEMBL3272026 | 0.85 | — | — | |
| Diphenylether SCHEMBL30341611 | 0.75 | LTA4H (0.67) | KMT2ALMNAGAAMAOALTA4H | |
| Diphenylether SCHEMBL29420763 | 0.75 | LTA4H (0.67) | KMT2ALMNAGAAMAOALTA4H | |
| Diphenylether SCHEMBL27568018 | 0.75 | LTA4H (0.67) | KMT2ALMNAGAAMAOALTA4H | |
| Benzene SCHEMBL28166744 | 0.74 | TSHR (0.31) | TSHRALDH1A1MAPK1TDP1CYP2A6 | |
| Diphenylether SCHEMBL27972233 | 0.73 | LTA4H (0.63) | KMT2ALMNAGAAMAOALTA4H | |
| Anisole SCHEMBL23856067 | 0.71 | CA4 (0.70) | KMT2ALMNAGAAMAOBLTA4H | |
| SCHEMBL4653167 | 0.69 | TSHR (0.41) | SRCKMT2ALMNAGAAMAOA | |
| SCHEMBL21585565 | 0.68 | MEN1 (0.32) | SRCKMT2A |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024061343-A1 | MEMBRANE-ASSOCIATED TYROSINE AND THREONINE KINASE INHIBITOR AND USE THEREOF | 先声再明医药有限公司 | 2024-03-28 | — | — | WO | disclosed |
| WO-2024061370-A1 | PYRIMIDINE-FUSED RING COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 劲方医药科技(上海)有限公司 | 2024-03-28 | — | — | WO | disclosed |
| WO-2024012519-A1 | PAN-KRAS INHIBITOR | 北京华森英诺生物科技有限公司 | 2024-01-18 | — | — | WO | disclosed |
| WO-2023109959-A1 | CDK9 INHIBITOR AND USE THEREOF | 药捷安康(南京)科技股份有限公司 | 2023-06-22 | — | — | WO | disclosed |
| WO-2023030385-A1 | PYRIMIDINE-FUSED CYCLIC COMPOUND AND PREPARATION METHOD AND USE THEREOF | 劲方医药科技(上海)有限公司 | 2023-03-09 | — | — | WO | disclosed |
| WO-2021213111-A1 | SNAIL INHIBITOR, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF | 中国药科大学 (CN) | 2021-10-28 | — | — | WO | disclosed |
| WO-2021139814-A1 | QUINOLINE IMIDAZOLE COMPOUND AND APPLICATION THEREOF | 南京明德新药研发有限公司 | 2021-07-15 | — | — | WO | disclosed |
| WO-2020192302-A1 | PYRIMIDINE-CONTAINING TRI-SUBSTITUTED IMIDAZOLE COMPOUND AND APPLICATION THEREOF | 广州必贝特医药技术有限公司 | 2020-10-01 | — | — | WO | disclosed |
| WO-2019233321-A1 | TRIFLUOROETHYL THIOETHER (SULFOXIDE) SUBSTITUTED BENZENE COMPOUND AND USE THEREOF | 沈阳化工大学 (CN) | 2019-12-12 | — | — | WO | disclosed |