Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 12/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | PTGES2 | Q9H7Z7 | 2/20 | 0.49 |
| ▸ | HTR6 | P50406 | 1/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | TFEB | P19484 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL5164016 | 0.73 | NFE2L2 (0.48) | NFE2L2KCNH2PTGES2HTR6 | |
| SCHEMBL29469865 | 0.71 | PTGES2 (0.55) | PTGES2ADRA1DADRA1AADRA1BCA1 | |
| SCHEMBL2247901 | 0.71 | PTGES2 (0.55) | PTGES2ADRA1DADRA1AADRA1BCA1 | |
| SCHEMBL5248910 | 0.71 | HTR6 (0.55) | NFE2L2KCNH2HTR6CA1CA2 | |
| SCHEMBL177279 | 0.70 | ALDH1A1 (0.55) | PTGES2ACHEALDH1A1 | |
| SCHEMBL13988354 | 0.69 | AR (0.49) | NFE2L2PTGES2ACHETFEBALDH1A1 | |
| SCHEMBL8711034 | 0.69 | HTR6 (0.53) | NFE2L2KCNH2HTR6CA1CA2 | |
| SCHEMBL105697 | 0.69 | CA1 (0.65) | CA1CA2ACHEALDH1A1 | |
| SCHEMBL31433095 | 0.69 | CA1 (0.65) | CA1CA2ACHEALDH1A1 | |
| SCHEMBL9035206 | 0.69 | ADRA2A (0.54) | PTGES2HTR6ADRA1DADRA1AADRA1B |
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-1765332-A2 | TRISUBSTITUTED NITROGEN MODULATORS OF TYROSINE PHOSPHATASES | Cengent Therapeutics, Inc. (US) | 2007-03-28 | — | — | EP | disclosed |
| WO-2006009876-A2 | TRISUBSTITUTED NITROGEN MODULATORS OF TYROSINE PHOSPHATASES | CENGENT THERAPEUTICS, INC. (US) | 2006-01-26 | — | — | WO | disclosed |