Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 7/20 | 0.47 |
| ▸ | GRM7 | Q14831 | 2/20 | 0.44 |
| ▸ | APAF1 | O14727 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9466772 | 0.83 | MAPT (0.41) | ACEGRM7 | |
| SCHEMBL27076468 | 0.79 | ALPI (0.47) | — | |
| SCHEMBL27076467 | 0.79 | ALPI (0.47) | — | |
| Hydrochloric Acid SCHEMBL8590499 | 0.77 | ALPI (0.46) | — | |
| Hydrochloric Acid SCHEMBL8590375 | 0.77 | ALPI (0.46) | — | |
| Hydrochloric Acid SCHEMBL8590359 | 0.77 | ALPI (0.46) | — | |
| SCHEMBL14824572 | 0.77 | OPRM1 (0.45) | GRM7 | |
| SCHEMBL8590527 | 0.76 | IDO1 (0.50) | — | |
| SCHEMBL5663018 | 0.75 | CYP19A1 (0.50) | — | |
| SCHEMBL7677987 | 0.74 | TRPA1 (0.40) | ACEGRM7 |
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 |
|---|---|---|---|---|---|---|---|
| US-6362141-B1 | ORGANOLEPTIC; PERFUMES, COSMETICS, CLEANING COMPOUNDS | INTERNATIONAL FLAVORS & FRAGRANCES INC. | 2002-03-26 | — | — | US | disclosed |
| US-6342612-B1 | FRAGRANCES | INTERNATIONAL FLAVORS & FRAGRANCES INC. | 2002-01-29 | — | — | US | disclosed |