Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.64 |
| ▸ | RAB9A | P51151 | 1/20 | 0.64 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | ITGB2 | P05107 | 2/20 | 0.48 |
| ▸ | ICAM1 | P05362 | 2/20 | 0.48 |
| ▸ | ITGAL | P20701 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | MMP8 | P22894 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | TLR2 | O60603 | 1/20 | 0.44 |
| ▸ | ACP3 | P15309 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8065316 | 1.00 | ALDH1A1 (0.64) | ALDH1A1RAB9AMAPTITGB2ICAM1 | |
| SCHEMBL7348196 | 0.90 | ALDH1A1 (0.56) | ALDH1A1RAB9AMMP8ACP3 | |
| SCHEMBL7348202 | 0.90 | ALDH1A1 (0.56) | ALDH1A1RAB9AMMP8ACP3 | |
| SCHEMBL60483 | 0.86 | GAA (0.62) | ALDH1A1RAB9AMAPTGAAMMP8 | |
| SCHEMBL60484 | 0.86 | GAA (0.62) | ALDH1A1RAB9AMAPTGAAMMP8 | |
| SCHEMBL31267566 | 0.86 | GAA (0.62) | ALDH1A1RAB9AMAPTGAAMMP8 | |
| SCHEMBL29187451 | 0.84 | RECQL (0.56) | ALDH1A1RAB9AMAPTKDM4EKMT2A | |
| SCHEMBL3451052 | 0.83 | ALDH1A1 (0.54) | ALDH1A1RAB9AMAPTITGB2ICAM1 | |
| SCHEMBL3451049 | 0.83 | ALDH1A1 (0.54) | ALDH1A1RAB9AMAPTITGB2ICAM1 | |
| SCHEMBL461572 | 0.83 | KMT2A (0.54) | ALDH1A1RAB9AMMP8KMT2ATLR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5250517-A | Hypotensive and cardiotonic agents; cardiac insufficiency | HOFFMANN-LA ROCHE INC. (US) | 1993-10-05 | — | — | US | disclosed |
| EP-0310918-A2 | Peptide-like amino-acid derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1989-04-12 | — | — | EP | disclosed |