Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.52 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.52 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.52 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.52 |
| ▸ | ITK | Q08881 | 4/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.38 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.38 |
| ▸ | UCHL5 | Q9Y5K5 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 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 | |
|---|---|---|---|---|
| SCHEMBL3047750 | 1.00 | CASP3 (0.52) | CASP3SENP8SENP7SENP6ITK | |
| SCHEMBL2682508 | 0.79 | CASP3 (0.54) | CASP3SENP8SENP7SENP6ITK | |
| SCHEMBL2683121 | 0.76 | CASP3 (0.47) | CASP3SENP8SENP7SENP6ITK | |
| SCHEMBL3056696 | 0.72 | CASP3 (0.55) | CASP3SENP8SENP7SENP6ITK | |
| SCHEMBL3058848 | 0.71 | CASP3 (0.51) | CASP3SENP8SENP7SENP6ITK | |
| SCHEMBL29941485 | 0.70 | CASP3 (1.00) | CASP3SENP8SENP7SENP6ITK | |
| SCHEMBL3704691 | 0.70 | CASP3 (1.00) | CASP3SENP8SENP7SENP6ITK | |
| SCHEMBL30344399 | 0.68 | CASP3 (0.77) | CASP3SENP8SENP7SENP6ITK | |
| SCHEMBL5443742 | 0.68 | CASP3 (0.77) | CASP3SENP8SENP7SENP6ITK | |
| SCHEMBL16904661 | 0.68 | HPGD (0.55) | PTGS1PTGS2UCHL5NPC1RAB9A |
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-2008051197-A2 | SMALL-MOLECULE BOTULINUM TOXIN INHIBITORS | MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) | 2008-05-02 | — | — | WO | disclosed |