Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 5/20 | 0.40 |
| ▸ | TYMS | P04818 | 4/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.31 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.31 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24744175 | 0.83 | PDK2 (0.41) | DHFRTYMSPDK2MEN1ALDH1A1 | |
| SCHEMBL24744981 | 0.81 | PDK2 (0.38) | TYMSPDK2KDM4EMEN1ALDH1A1 | |
| SCHEMBL24744982 | 0.81 | CYP2A6 (0.39) | TYMSPDK2KDM4EMEN1ALDH1A1 | |
| SCHEMBL24156027 | 0.69 | PDK2 (0.53) | PDK2TSHRPGR | |
| SCHEMBL20806434 | 0.68 | TYMS (0.35) | DHFRTYMSPDK2ALDH1A1TSHR | |
| SCHEMBL592159 | 0.67 | ALDH1A1 (0.42) | TYMSKDM4EMEN1ALDH1A1KMT2A | |
| SCHEMBL25124668 | 0.67 | PDK2 (0.40) | TYMSPDK2KDM4EMEN1ALDH1A1 | |
| SCHEMBL26793054 | 0.67 | ELANE (0.37) | PDK2KDM4EMEN1ALDH1A1KMT2A | |
| SCHEMBL20806438 | 0.67 | PDK2 (0.40) | DHFRTYMSPDK2MEN1ALDH1A1 | |
| SCHEMBL31395712 | 0.66 | ALDH1A1 (0.50) | TYMSKDM4EMEN1ALDH1A1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022260240-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | 엘티소재주식회사 | 2022-12-15 | — | — | WO | disclosed |