Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 16/20 | 0.72 |
| ▸ | CNR2 | P34972 | 1/20 | 0.67 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.67 |
| ▸ | HTR1A | P08908 | 1/20 | 0.67 |
| ▸ | PKM | P14618 | 1/20 | 0.67 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.67 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.67 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL15932278 | 0.89 | PTGS2 (0.76) | PTGS2CNR2AKR1C3HTR1APKM | |
| SCHEMBL15934101 | 0.89 | PTGS2 (0.81) | PTGS2CNR2AKR1C3HTR1APKM | |
| SCHEMBL11174704 | 0.88 | PTGS2 (0.85) | PTGS2CNR2AKR1C3HTR1APKM | |
| SCHEMBL6754016 | 0.86 | PTGS2 (0.88) | PTGS2CNR2AKR1C3HTR1APKM | |
| SCHEMBL30346091 | 0.85 | PTGS2 (0.81) | PTGS2CNR2AKR1C3HTR1APKM | |
| SCHEMBL3810907 | 0.85 | PTGS2 (0.81) | PTGS2CNR2AKR1C3HTR1APKM | |
| SCHEMBL1394295 | 0.85 | PTGS2 (0.81) | PTGS2CNR2AKR1C3HTR1APKM | |
| Hydrochloric Acid SCHEMBL2579898 | 0.85 | PTGS2 (0.80) | PTGS2CNR2AKR1C3HTR1APKM | |
| SCHEMBL11251708 | 0.85 | PTGS2 (0.85) | PTGS2CNR2AKR1C3HTR1APKM | |
| SCHEMBL13813542 | 0.84 | PTGS2 (1.00) | PTGS2CNR2AKR1C3HTR1APKM |
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-0024282-B1 | BENZOYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICINES | Dr. Karl Thomae GmbH (DE) | 1983-05-18 | — | — | EP | disclosed |
| EP-0024282-A1 | Benzoyl derivatives, their preparation and their use as medicines | Dr. Karl Thomae GmbH (DE) | 1981-03-04 | — | — | EP | disclosed |