Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | ALOX5 | P09917 | 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 | |
|---|---|---|---|---|
| SCHEMBL6224572 | 0.78 | CA2 (0.42) | ALDH1A1HTTSMN1; SMN2POLBALOX5 | |
| SCHEMBL31139228 | 0.74 | CHKA (0.39) | ALDH1A1HTTSMN1; SMN2POLB | |
| SCHEMBL9451018 | 0.73 | MEN1 (0.41) | ALDH1A1HTTSMN1; SMN2POLB | |
| SCHEMBL9505472 | 0.73 | — | — | |
| SCHEMBL9505479 | 0.73 | — | — | |
| SCHEMBL4738478 | 0.71 | MEN1 (0.35) | ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL8803609 | 0.71 | CA2 (0.45) | ALDH1A1ALOX5 | |
| SCHEMBL20168374 | 0.71 | HRH3 (0.39) | ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL11941549 | 0.71 | SMN1; SMN2 (0.51) | ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL3016280 | 0.68 | CA2 (0.41) | SMN1; SMN2ALOX5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0548235-A1 | SYNTHETIC DRUG MOLECULES THAT MIMIC METALLOENZYMES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1993-06-30 | — | — | EP | disclosed |
| US-5202317-A | SYNTHETIC DRUG MOLECULES THAT MIMIC METALLOENZYMES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1993-04-13 | — | — | US | disclosed |
| WO-1992005178-A1 | SYNTHETIC DRUG MOLECULES THAT MIMIC METALLOENZYMES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1992-04-02 | — | — | WO | disclosed |