Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LY96 | Q9Y6Y9 | 1/20 | 0.49 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.49 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.49 |
| ▸ | CTSS | P25774 | 1/20 | 0.49 |
| ▸ | CTSK | P43235 | 1/20 | 0.49 |
| ▸ | CHRND | Q07001 | 6/20 | 0.45 |
| ▸ | CHRNA1 | P02708 | 2/20 | 0.45 |
| ▸ | CHRNG | P07510 | 2/20 | 0.45 |
| ▸ | CHRNB1 | P11230 | 2/20 | 0.45 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | GRIA1 | P42261 | 5/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL27307046 | 1.00 | LY96 (0.49) | LY96ITGA4ITGB7CTSSCTSK | |
| Hydrochloric Acid SCHEMBL7953381 | 0.99 | LY96 (0.48) | LY96ITGA4ITGB7CTSSCTSK | |
| Hydrochloric Acid SCHEMBL7953378 | 0.99 | LY96 (0.48) | LY96ITGA4ITGB7CTSSCTSK | |
| SCHEMBL7456024 | 0.87 | ESR1 (0.54) | CHRNDCHRNA1CHRNGCHRNB1ESR1 | |
| SCHEMBL7456029 | 0.87 | ESR1 (0.54) | CHRNDCHRNA1CHRNGCHRNB1ESR1 | |
| SCHEMBL13611703 | 0.87 | ITGA4 (0.52) | LY96ITGA4ITGB7CTSSCTSK | |
| SCHEMBL27312076 | 0.86 | BACE1 (0.49) | CHRNDCHRNA1CHRNGCHRNB1ESR1 | |
| SCHEMBL5551738 | 0.84 | CTSS (0.53) | LY96ITGA4ITGB7CTSSCTSK | |
| SCHEMBL19354815 | 0.83 | CTSS (0.53) | LY96ITGA4ITGB7CTSSCTSK | |
| SCHEMBL2271884 | 0.83 | FOLH1 (0.52) | CHRNDCHRNA1CHRNGCHRNB1BCHE |
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-0920307-A2 | DERIVATES FROM BISARYLTETRACARBONACID, AND PHARMARCEUTICAL PRODUCT CONTAINING THEM | Roche Diagnostics GmbH (DE) | 1999-06-09 | — | — | EP | disclosed |
| WO-1998006386-A2 | DERIVATES FROM BISARYLTETRACARBONACID, AND PHARMARCEUTICAL PRODUCT CONTAINING THEM | ROCHE DIAGNOSTICS GMBH (DE) | 1998-02-19 | — | — | WO | disclosed |