Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.62 |
| ▸ | HTT | P42858 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.61 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.61 |
| ▸ | EPHX2 | P34913 | 8/20 | 0.59 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.58 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.56 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.56 |
| ▸ | HTR2A | P28223 | 1/20 | 0.56 |
| ▸ | SCN1A | P35498 | 1/20 | 0.56 |
| ▸ | HTR2B | P41595 | 1/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.56 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.56 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL17296296 | 0.96 | ALDH1A1 (0.68) | ALDH1A1KDM4EHTTTSHRSMN1; SMN2 | |
| SCHEMBL210600 | 0.93 | KDM4E (0.62) | ALDH1A1KDM4EHTTTSHRSMN1; SMN2 | |
| SCHEMBL29417693 | 0.93 | KDM4E (0.62) | ALDH1A1KDM4EHTTTSHRSMN1; SMN2 | |
| SCHEMBL1039170 | 0.88 | KDM4E (0.64) | ALDH1A1KDM4ETSHRSMN1; SMN2HRH3 | |
| Hydrochloric Acid SCHEMBL2425484 | 0.86 | KDM4E (0.63) | ALDH1A1KDM4ETSHRSMN1; SMN2HRH3 | |
| SCHEMBL7956588 | 0.86 | DRD3 (0.59) | ALDH1A1KDM4EHTTTSHRSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL2427264 | 0.85 | DRD3 (0.58) | ALDH1A1KDM4EHTTTSHRSMN1; SMN2 | |
| SCHEMBL4730254 | 0.85 | HRH3 (0.68) | ALDH1A1EPHX2KEAP1NFE2L2MAPK1 | |
| SCHEMBL3427377 | 0.83 | HRH3 (0.54) | ALDH1A1KDM4EHTTTSHRSMN1; SMN2 | |
| SCHEMBL1283353 | 0.82 | LTA4H (0.61) | ALDH1A1KDM4EHTTSMN1; SMN2MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6297274-B1 | SUBSTITUTED 5-HYDROXYFURANONES | WARNER-LAMBERT COMPANY | 2001-10-02 | — | — | US | disclosed |
| WO-1997037985-A1 | NONPEPTIDE ENDOTHELIN ANTAGONISTS WITH INCREASED WATER SOLUBILITY | WARNER-LAMBERT COMPANY (US) | 1997-10-16 | — | — | WO | disclosed |