Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.55 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.53 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.50 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.49 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.46 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.44 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.44 |
| ▸ | MYC | P01106 | 1/20 | 0.43 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.42 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9447453 | 0.89 | PTGS2 (0.54) | PTGS2PTGS1AKR1B1TDP1FFAR1 | |
| SCHEMBL8695471 | 0.86 | PDCD1 (0.59) | PTGS2PTGS1AKR1B1PDCD1CD274 | |
| SCHEMBL228994 | 0.85 | PTGS2 (0.57) | PTGS2PTGS1AKR1B1TDP1GLA | |
| SCHEMBL29363967 | 0.85 | PTGS2 (0.57) | PTGS2PTGS1AKR1B1TDP1GLA | |
| SCHEMBL11899242 | 0.84 | PTGS1 (0.50) | PTGS2PTGS1AKR1B1TDP1FFAR1 | |
| Hydrochloric Acid SCHEMBL49165 | 0.83 | PTGS2 (0.56) | PTGS2PTGS1AKR1B1TDP1GLA | |
| Hydrochloric Acid SCHEMBL8900388 | 0.81 | PTGS2 (0.54) | PTGS2PTGS1AKR1B1TDP1GLA | |
| Acetic Acid SCHEMBL27649054 | 0.81 | PTGS2 (0.54) | PTGS2PTGS1AKR1B1TDP1GLA | |
| SCHEMBL2528595 | 0.81 | AKR1B1 (0.61) | PTGS2PTGS1AKR1B1TDP1MEN1 | |
| SCHEMBL29631318 | 0.81 | AKR1B1 (0.61) | PTGS2PTGS1AKR1B1TDP1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109311813-B | Palladium-catalyzed meta-C-H functionalized universal ligands | 斯克利普斯研究院 | 2023-02-28 | — | — | CN | disclosed |
| WO-2017184589-A1 | A VERSATILE LIGAND FOR PALLADIUM-CATALYZED META-C-H FUNCTIONALIZATIONS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2017-10-26 | — | — | WO | disclosed |