Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 6/20 | 0.52 |
| ▸ | CA2 | P00918 | 6/20 | 0.52 |
| ▸ | CA12 | O43570 | 4/20 | 0.52 |
| ▸ | CA7 | P43166 | 4/20 | 0.52 |
| ▸ | CA9 | Q16790 | 4/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | TYR | P14679 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9659551 | 1.00 | CA1 (0.52) | CA1CA2CA12CA7CA9 | |
| SCHEMBL9043211 | 1.00 | CA1 (0.52) | CA1CA2CA12CA7CA9 | |
| SCHEMBL28845729 | 0.85 | TDP1 (0.52) | LMNAMAPTALDH1A1HPGDPKM | |
| SCHEMBL29172895 | 0.85 | TDP1 (0.52) | LMNAMAPTALDH1A1HPGDPKM | |
| SCHEMBL6781009 | 0.84 | HIF1A (0.46) | HIF1ALMNAMAPTALDH1A1HPGD | |
| SCHEMBL7457347 | 0.83 | TSHR (0.50) | HIF1ALMNAMAPTHPGDGAA | |
| SCHEMBL27446293 | 0.83 | TSHR (0.50) | HIF1ALMNAMAPTHPGDGAA | |
| SCHEMBL9659486 | 0.83 | CA1 (0.48) | CA1CA2CA12CA7CA9 | |
| SCHEMBL9659492 | 0.83 | CA1 (0.48) | CA1CA2CA12CA7CA9 | |
| SCHEMBL6792778 | 0.82 | CA1 (0.48) | CA1CA2CA12CA7CA9 |
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-0512352-B1 | Substituted carboxylic acid derivatives | HOFFMANN LA ROCHE (CH) | 1996-03-27 | — | — | EP | disclosed |
| US-5344843-A | Carnitine acryltransferase enzyme inhibitors as antiischemic agents and for cardiovascular disorders | HOFFMAN-LA ROCHE INC. (US) | 1994-09-06 | — | — | US | disclosed |
| EP-0512352-A2 | Substituted carboxylic acid derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1992-11-11 | — | — | EP | disclosed |