Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 14/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | GMNN | O75496 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | APEX1 | P27695 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8861255 | 0.76 | ALDH1A1 (0.51) | KDM4EALDH1A1HPGDHSD17B10NPSR1 | |
| SCHEMBL29580418 | 0.76 | KDM4E (0.51) | KDM4EALDH1A1HPGDHSD17B10NPSR1 | |
| SCHEMBL6390410 | 0.76 | KDM4E (0.51) | KDM4EALDH1A1HPGDHSD17B10NPSR1 | |
| SCHEMBL2359406 | 0.76 | KDM4E (0.51) | KDM4EALDH1A1HPGDHSD17B10NPSR1 | |
| SCHEMBL7898823 | 0.76 | KDM4E (0.56) | KDM4EALDH1A1HPGDHSD17B10NPSR1 | |
| SCHEMBL28264383 | 0.76 | KDM4E (0.51) | KDM4EALDH1A1HPGDHSD17B10NPSR1 | |
| SCHEMBL1161408 | 0.76 | KDM4E (0.64) | KDM4EALDH1A1HPGDHSD17B10NPSR1 | |
| SCHEMBL28026163 | 0.74 | RPS6KA5 (0.43) | KDM4EALDH1A1MAPT | |
| SCHEMBL10722269 | 0.73 | TDP1 (0.52) | KDM4EALDH1A1HPGDHSD17B10NPSR1 | |
| SCHEMBL30050771 | 0.73 | ALDH1A1 (0.53) | KDM4EALDH1A1HPGDHSD17B10NPSR1 |
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-119156381-A | Compounds and methods for treating cancer | 上海睿跃生物科技有限公司 | 2024-12-17 | — | — | CN | disclosed |
| CN-115108926-B | Intermediate compound for preparing erdasatinib and preparation method | 上海工程技术大学 | 2023-06-20 | — | — | CN | disclosed |
| CN-115108926-A | Intermediate compound for preparing erdastinib and preparation method | 上海工程技术大学 | 2022-09-27 | — | — | CN | disclosed |