Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.51 |
| ▸ | EGFR | P00533 | 4/20 | 0.49 |
| ▸ | CDK2 | P24941 | 4/20 | 0.49 |
| ▸ | CNR1 | P21554 | 5/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10259162 | 0.82 | CNR1 (0.68) | PTGS2EGFRCDK2CNR1CNR2 | |
| SCHEMBL8277185 | 0.81 | PTGS2 (0.49) | PTGS2EGFRCDK2CNR1CNR2 | |
| SCHEMBL8276724 | 0.77 | CNR1 (0.61) | PTGS2CNR1CNR2SMN1; SMN2LMNA | |
| SCHEMBL10261543 | 0.75 | HTT (0.55) | PTGS2EGFRCDK2CNR1CNR2 | |
| SCHEMBL10262091 | 0.73 | CNR1 (0.67) | CNR1CNR2SMN1; SMN2LMNAMEN1 | |
| SCHEMBL10261074 | 0.70 | BACE1 (0.55) | PTGS2EGFRCDK2CNR1CNR2 | |
| SCHEMBL10261057 | 0.67 | CNR1 (0.53) | CNR1CNR2SMN1; SMN2LMNAMEN1 | |
| SCHEMBL20795007 | 0.67 | PTGS2 (0.55) | PTGS2EGFRCDK2CNR1CNR2 | |
| SCHEMBL20794349 | 0.66 | PTGS2 (0.54) | PTGS2EGFRCDK2CNR1CNR2 | |
| SCHEMBL10293115 | 0.66 | CNR1 (0.60) | CNR1CNR2NPC1RAB9AMEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006010008-A1 | HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-01-26 | — | — | WO | disclosed |