Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.40 |
| ▸ | HTR3B | O95264 | 1/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.40 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.40 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL18528459 | 1.00 | PTGS2 (0.43) | PTGS2PTGS1CYP1A1CYP1B1MEN1 | |
| SCHEMBL18540732 | 0.85 | PTGS1 (0.56) | PTGS2PTGS1CYP1A1CYP1B1MEN1 | |
| SCHEMBL17224266 | 0.85 | PTGS1 (0.56) | PTGS2PTGS1CYP1A1CYP1B1MEN1 | |
| SCHEMBL17224265 | 0.85 | PTGS1 (0.56) | PTGS2PTGS1CYP1A1CYP1B1MEN1 | |
| SCHEMBL17224317 | 0.79 | TUBB1 (0.53) | PTGS2PTGS1MEN1GAAKMT2A | |
| SCHEMBL17224314 | 0.79 | TUBB1 (0.53) | PTGS2PTGS1MEN1GAAKMT2A | |
| SCHEMBL17224400 | 0.79 | PTGS1 (0.59) | PTGS1MEN1NPC1HSP90AA1GAA | |
| SCHEMBL18540746 | 0.79 | TUBB1 (0.53) | PTGS2PTGS1MEN1GAAKMT2A | |
| SCHEMBL18540717 | 0.79 | PTGS1 (0.59) | PTGS1MEN1NPC1HSP90AA1GAA | |
| SCHEMBL17224277 | 0.79 | TUBB1 (0.53) | PTGS2PTGS1CYP1A1CYP1B1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20170051149-A1 | AZOARYLS AS REVERSIBLY MODULATABLE TUBULIN INHIBITORS | ECOLE NORMALE SUPERIEURE DE LYON (FR) | 2017-02-23 | — | — | US | disclosed |