Predicted protein targets (top 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 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 | |
|---|---|---|---|---|
| SCHEMBL9861625 | 0.68 | ERBB2 (0.36) | ERBB2 | |
| SCHEMBL10601622 | 0.67 | ERBB2 (0.38) | ERBB2 | |
| SCHEMBL9861363 | 0.66 | ALDH1A1 (0.33) | — | |
| SCHEMBL49620 | 0.60 | ERBB2 (1.00) | ERBB2 | |
| SCHEMBL21887167 | 0.58 | ERBB2 (0.70) | ERBB2 | |
| SCHEMBL11484215 | 0.57 | ERBB2 (0.59) | ERBB2 | |
| SCHEMBL28113764 | 0.57 | ERBB2 (0.91) | ERBB2 | |
| SCHEMBL18716327 | 0.57 | PDK2 (0.32) | — | |
| SCHEMBL5214897 | 0.55 | ERBB2 (0.64) | ERBB2 | |
| SCHEMBL9861608 | 0.55 | ALDH1A1 (0.30) | — |
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-5008425-A | Trifluoromethylation of carbonyl compounds | ETHYL CORPORATION (US) | 1991-04-16 | — | — | US | disclosed |
| US-4871877-A | Gem-disubstituted cyclohexadienones and their production | ETHYL CORPORATION (US) | 1989-10-03 | — | — | US | disclosed |