Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | RECQL | P46063 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2973753 | 0.92 | BACE1 (0.49) | KDM4EALDH1A1BACE1MAPTRECQL | |
| SCHEMBL746177 | 0.90 | TDP1 (0.55) | LMNATDP1KDM4EALDH1A1ALOX15 | |
| SCHEMBL794917 | 0.88 | TDP1 (0.53) | LMNATDP1KDM4EALDH1A1ALOX15 | |
| SCHEMBL24186174 | 0.83 | ALOX15 (0.47) | LMNATDP1KDM4EALDH1A1ALOX15 | |
| SCHEMBL11956572 | 0.83 | TSHR (0.69) | LMNATDP1KDM4EALDH1A1ALOX15 | |
| SCHEMBL1999536 | 0.83 | CA12 (0.48) | LMNATDP1KDM4EALDH1A1ALOX15 | |
| SCHEMBL8116589 | 0.83 | HSD17B10 (0.46) | LMNATDP1KDM4EALDH1A1ALOX15 | |
| SCHEMBL7225274 | 0.81 | ALDH1A1 (0.56) | LMNATDP1KDM4EALDH1A1BACE1 | |
| SCHEMBL17477633 | 0.81 | CYP3A4 (0.46) | KDM4EALDH1A1BACE1MAPTRECQL | |
| SCHEMBL19623132 | 0.81 | GRM5 (0.51) | KDM4EALDH1A1BACE1MAPTRECQL |
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-111683660-A | Compounds and compositions for the treatment of pain | 斯特拉斯堡大学 | 2020-09-18 | — | — | CN | disclosed |
| CN-100415746-C | Aminopyridine derivatives as inducible NO-synthase inhibitors | ALTANA PHARMA AG (DE) | 2008-09-03 | — | — | CN | disclosed |