Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FYN | P06241 | 1/20 | 0.47 |
| ▸ | SCN1A | P35498 | 1/20 | 0.43 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.43 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.40 |
| ▸ | HTR1B | P28222 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8188932 | 0.92 | HTR7 (0.49) | FYNSCN1ASCN2ASCN3ACYP2C19 | |
| SCHEMBL4036416 | 0.84 | FYN (0.53) | FYNSCN1ASCN2ASCN3ACYP2C19 | |
| SCHEMBL7945829 | 0.80 | FDPS (0.49) | FYNSCN1ASCN2ASCN3ALMNA | |
| SCHEMBL58988 | 0.76 | ACHE (0.59) | CYP1A2ACHEALDH1A1PTGS2 | |
| SCHEMBL5241628 | 0.75 | PTGS2 (0.50) | CYP2C19CYP1A2CYP2D6ACHEALDH1A1 | |
| SCHEMBL4045745 | 0.75 | HTR7 (0.49) | FYNCYP2C19AOC3HTR7LMNA | |
| SCHEMBL27736458 | 0.74 | ACHE (0.56) | CYP1A2ACHEALDH1A1PTGS2 | |
| SCHEMBL11774217 | 0.73 | KDM4E (0.50) | CYP2C19CYP1A2CYP2D6HRH3LMNA | |
| SCHEMBL7959809 | 0.73 | SPIN1 (0.57) | SCN1ASCN2ASCN3ACYP2C19CYP1A2 | |
| SCHEMBL9306683 | 0.73 | AOC3 (0.64) | AOC3PTGS2 |
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 8 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 | claimed |
| US-5922759-A | Butenolide endothelin antagonists | WARNER-LAMBERT COMPANY (US) | 1999-07-13 | — | — | US | claimed |
| WO-1997037985-A1 | NONPEPTIDE ENDOTHELIN ANTAGONISTS WITH INCREASED WATER SOLUBILITY | WARNER-LAMBERT COMPANY (US) | 1997-10-16 | — | — | WO | claimed |
| US-6297274-B1 | SUBSTITUTED 5-HYDROXYFURANONES | WARNER-LAMBERT COMPANY | 2001-10-02 | — | — | US | disclosed |
| US-6017951-A | TREATING RENAL FAILURE, HYPERTENSION, MYOCARDIAL INFARCTION AND MYOCARDIAL ISCHEMIA, CEREBRAL VASOSPASM, CIRRHOSIS, SEPTIC SHOCK, CONGESTIVE HEART FAILURE, ENDOTOXIC SHOCK, SUBARACHNOID HEMORRHAGE, ARRHYTHMIAS, ASTHMA, ATHEROSCLEROSIS | WARNER-LAMBERT COMPANY (US) | 2000-01-25 | — | — | US | disclosed |
| US-5922759-A | Butenolide endothelin antagonists | WARNER-LAMBERT COMPANY (US) | 1999-07-13 | — | — | US | disclosed |
| WO-1997037985-A1 | NONPEPTIDE ENDOTHELIN ANTAGONISTS WITH INCREASED WATER SOLUBILITY | WARNER-LAMBERT COMPANY (US) | 1997-10-16 | — | — | WO | disclosed |
| WO-1997002265-A1 | BUTENOLIDE ENDOTHELIN ANTAGONISTS | WARNER-LAMBERT COMPANY (US) | 1997-01-23 | — | — | WO | disclosed |