Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | SCN1A | P35498 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9444 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL8859956 | 0.72 | KEAP1 (0.70) | KEAP1SMN1; SMN2KDM4EMAPK1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL1168021 | 0.72 | KEAP1 (0.70) | KEAP1SMN1; SMN2KDM4EMAPK1ALDH1A1 | |
| SCHEMBL1307205 | 0.72 | KEAP1 (0.70) | KEAP1SMN1; SMN2KDM4EALDH1A1SIGMAR1 | |
| SCHEMBL10917755 | 0.72 | KEAP1 (0.70) | KEAP1SMN1; SMN2KDM4EALDH1A1SIGMAR1 | |
| SCHEMBL27350451 | 0.72 | KEAP1 (0.70) | KEAP1SMN1; SMN2KDM4EALDH1A1SIGMAR1 | |
| Ammonia Solution, Strong SCHEMBL726007 | 0.72 | KEAP1 (0.70) | KEAP1SMN1; SMN2KDM4EALDH1A1SIGMAR1 | |
| Amitrole SCHEMBL31379743 | 0.72 | — | — | |
| SCHEMBL4851191 | 0.70 | CXCR4 (0.44) | SMN1; SMN2HRH3ALDH1A1ALOX15NPC1 | |
| Amitrole SCHEMBL44637 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1339702-A1 | 5-AMIDE SUBSTITUTED DIARYLAMINES AS MEK INHIBITORS | WARNER-LAMBERT COMPANY (US) | 2003-09-03 | — | — | EP | disclosed |
| WO-2001068619-A1 | 5-AMIDE SUBSTITUTED DIARYLAMINES AS MEX INHIBITORS | WARNER-LAMBERT COMPANY (US) | 2001-09-20 | — | — | WO | disclosed |