Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTNNB1 | P35222 | 1/20 | 0.34 |
| ▸ | WNT3A | P56704 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ERN1 | O75460 | 1/20 | 0.32 |
| ▸ | REN | P00797 | 2/20 | 0.32 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.31 |
| ▸ | SOAT1 | P35610 | 2/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | BTK | Q06187 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4716180 | 0.77 | PLK1 (0.51) | CTNNB1WNT3AACHENPC1ALDH1A1 | |
| SCHEMBL19011495 | 0.76 | ACHE (0.39) | CTNNB1WNT3AACHE | |
| SCHEMBL4713032 | 0.71 | CYP3A4 (0.51) | ACHEALDH1A1SMN1; SMN2SOAT1HIF1A | |
| SCHEMBL30644678 | 0.69 | OGA (0.44) | CTNNB1WNT3APTGS1PTGS2 | |
| SCHEMBL20482203 | 0.69 | OGA (0.44) | CTNNB1WNT3APTGS1PTGS2 | |
| SCHEMBL9120726 | 0.68 | CYP3A4 (0.44) | ACHENPC1RAB9AERN1PTGS2 | |
| SCHEMBL8823764 | 0.68 | ACHE (0.49) | CTNNB1WNT3AACHE | |
| SCHEMBL13085629 | 0.68 | PLK1 (0.44) | ACHEALDH1A1SMN1; SMN2ERN1 | |
| SCHEMBL9749595 | 0.67 | CYP3A4 (0.42) | NPC1ALDH1A1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL13054418 | 0.67 | HTR2C (0.39) | PTGS1PTGS2 |
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-1373257-B9 | INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES | VERTEX PHARMA (US) | 2008-10-15 | — | — | EP | disclosed |
| EP-1373257-B1 | INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES | VERTEX PHARMA (US) | 2007-11-28 | — | — | EP | disclosed |