Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 5/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 5/20 | 0.40 |
| ▸ | APP | P05067 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | RORC | P51449 | 5/20 | 0.34 |
| ▸ | CNR2 | P34972 | 2/20 | 0.34 |
| ▸ | RORA | P35398 | 1/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2138531 | 0.84 | APP (0.48) | AKR1C3AKR1C2APPCYP3A4CYP2C9 | |
| SCHEMBL11730443 | 0.80 | ALDH1A1 (0.41) | AKR1C3AKR1C2APPNPC1MAPT | |
| SCHEMBL10781077 | 0.79 | APP (0.49) | AKR1C3AKR1C2APPCYP3A4CYP2C9 | |
| SCHEMBL22964482 | 0.78 | MAPT (0.39) | CYP3A4CYP2C9CNR2MAPT | |
| SCHEMBL11502322 | 0.77 | APP (0.44) | AKR1C3AKR1C2APPCYP3A4CYP2C9 | |
| SCHEMBL23070510 | 0.75 | MMP8 (0.37) | CYP3A4CNR2 | |
| SCHEMBL30853648 | 0.75 | TSHR (0.36) | CYP3A4CNR2NPC1MAPTRAB9A | |
| SCHEMBL140210 | 0.75 | TSHR (0.36) | CYP3A4CNR2NPC1MAPTRAB9A | |
| SCHEMBL6186026 | 0.74 | PTGS2 (0.52) | AKR1C3AKR1C2APPCYP3A4CYP2C9 | |
| SCHEMBL2138533 | 0.73 | ALDH1A1 (0.48) | APPNPC1MAPTRAB9A |
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-6100260-A | ((3-(1-(2-FLUORO-BIPHENYL-4-YL)-ETHYL)-ISOXAZOL-5-YLIMINO) -MORPHOLIN-4-YL-M ETHYL)-AMINE, FOR EXAMPLE; ADMINISTERING TO TREAT AUTOIMMUNE DISEASES AND INFLAMMATION | SUMITOMO PHARMACEUTICAL COMPANY, LIMITED (JP) | 2000-08-08 | — | — | US | disclosed |