Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6853102 | 0.74 | ALDH1A1 (0.33) | ERBB2CYP1A2FYNMAOAACHE | |
| SCHEMBL6852931 | 0.70 | — | — | |
| SCHEMBL30855592 | 0.69 | CYP1A2 (0.36) | ERBB2CYP1A2FYNMAOAACHE | |
| SCHEMBL6853050 | 0.64 | PDK2 (0.33) | ERBB2CYP1A2FYNMAOAACHE | |
| SCHEMBL30855593 | 0.64 | — | — | |
| SCHEMBL30855591 | 0.64 | — | — | |
| SCHEMBL30855589 | 0.62 | — | — | |
| SCHEMBL6853054 | 0.61 | CYP1A2 (0.33) | ERBB2CYP1A2FYNMAOAACHE | |
| SCHEMBL28319268 | 0.60 | SLC6A3 (0.38) | — | |
| SCHEMBL16822385 | 0.60 | CYP1A2 (0.61) | ERBB2CYP1A2FYNMAOAACHE |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024071250-A1 | DIAMONDOID COMPOUND AND METHOD FOR PRODUCING SAME | 国立大学法人東海国立大学機構 | 2024-04-04 | — | — | WO | disclosed |