Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL43958 | 0.72 | ALDH1A1 (0.38) | CYP2D6CYP2C9ALDH1A1PKM | |
| SCHEMBL2283238 | 0.72 | ALDH1A1 (0.38) | CYP2D6CYP2C9ALDH1A1PKM | |
| SCHEMBL2913715 | 0.68 | KMT2A (0.42) | ALDH1A1PKM | |
| SCHEMBL34662 | 0.65 | CHRM2 (0.47) | — | |
| SCHEMBL43849 | 0.64 | SLC1A2 (0.40) | CYP2D6CYP2C9ALDH1A1PKM | |
| SCHEMBL18020563 | 0.63 | SLC1A2 (0.45) | CYP2D6CYP2C9ALDH1A1PKM | |
| SCHEMBL7164891 | 0.63 | CYP2D6 (0.33) | CYP2D6CYP2C9ALDH1A1PKM | |
| SCHEMBL23716973 | 0.62 | ALDH1A1 (0.46) | CYP2D6CYP2C9ALDH1A1PKM | |
| SCHEMBL871730 | 0.62 | ALDH1A1 (0.35) | CYP2D6CYP2C9ALDH1A1PKM | |
| SCHEMBL4381247 | 0.61 | ALDH1A1 (0.49) | ALDH1A1PKM |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001043779-A2 | ANTI-HIV-1 CONJUGATES FOR TREATMENT OF HIV DISEASE | TANOX, INC. (US) | 2001-06-21 | — | — | WO | disclosed |
| US-5646256-A | DEACETYLATION; DEBLOCKING WITH CARBOXYMETHOXYLAMINE; STABILIZATION | BECTON, DICKINSON AND COMPANY (US) | 1997-07-08 | — | — | US | disclosed |