Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3426803 | 0.86 | AKR1B1 (0.33) | AKR1B1PTGS2PTGS1 | |
| SCHEMBL13183166 | 0.78 | — | — | |
| SCHEMBL13183165 | 0.75 | NR3C1 (0.41) | — | |
| SCHEMBL3429053 | 0.74 | AKR1B1 (0.41) | AKR1B1PTGS2PTGS1 | |
| SCHEMBL13160455 | 0.70 | AKR1B1 (0.41) | AKR1B1 | |
| SCHEMBL3424234 | 0.68 | NR3C1 (0.30) | — | |
| SCHEMBL3424991 | 0.67 | — | — | |
| SCHEMBL3424846 | 0.66 | NR3C1 (0.51) | — | |
| SCHEMBL5657117 | 0.61 | NOTUM (0.45) | AKR1B1PTGS2PTGS1 | |
| SCHEMBL4456598 | 0.61 | AKR1B1 (0.45) | AKR1B1 |
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-7795272-B2 | Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof | BOEHRINGER INGELHEIM PHARMACEUTICAL, INC. (US) | 2010-09-14 | — | — | US | disclosed |