Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL10469382 | 1.00 | CA1 (0.33) | CA1CA2CA7MEN1GAA | |
| SCHEMBL28720531 | 0.93 | CA1 (0.33) | CA1CA2CA7MEN1GAA | |
| SCHEMBL28720533 | 0.93 | CA1 (0.33) | CA1CA2CA7MEN1GAA | |
| SCHEMBL7346109 | 0.85 | SLC7A5 (0.38) | — | |
| SCHEMBL5058562 | 0.83 | ALDH1A1 (0.35) | CA1CA2MEN1GAAKMT2A | |
| SCHEMBL59435 | 0.82 | CA1 (0.33) | CA1CA2CA7MEN1GAA | |
| SCHEMBL67120 | 0.82 | CA1 (0.33) | CA1CA2CA7MEN1GAA | |
| SCHEMBL2160514 | 0.82 | CA1 (0.33) | CA1CA2CA7MEN1GAA | |
| SCHEMBL27487008 | 0.82 | CA1 (0.36) | CA1CA2CA7MEN1GAA | |
| SCHEMBL11661957 | 0.82 | CTSS (0.38) | CA1CA2CA7MEN1GAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4939169-A | 1,4-naphthalenediol and 1,4-hydroquinone derivatives | THE UPJOHN COMPANY (US) | 1990-07-03 | — | — | US | disclosed |
| EP-0246245-A1 | 1,4-NAPHTHALENEDIOL AND 1,4-HYDROQUINONE DERIVATIVES | THE UPJOHN COMPANY (US) | 1987-11-25 | — | — | EP | disclosed |
| WO-1987001698-A2 | 1,4-NAPHTHALENEDIOL AND 1,4-HYDROQUINONE DERIVATIVES | THE UPJOHN COMPANY (US) | 1987-03-26 | — | — | WO | disclosed |