Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | HTR7 | P34969 | 1/20 | 0.45 |
| ▸ | BRD4 | O60885 | 1/20 | 0.45 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.43 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9282020 | 0.85 | ALDH1A1 (0.46) | ALDH1A1HPGDPRKAA2HTR1AHTR7 | |
| SCHEMBL30218456 | 0.83 | ALDH1A1 (0.51) | ALDH1A1MEN1KMT2A | |
| SCHEMBL21043974 | 0.83 | ALDH1A1 (0.51) | ALDH1A1MEN1KMT2A | |
| SCHEMBL30218444 | 0.81 | KDM4E (0.46) | ALDH1A1NPSR1 | |
| SCHEMBL9282639 | 0.81 | KDM4E (0.46) | ALDH1A1NPSR1 | |
| SCHEMBL23779997 | 0.81 | KDM4E (0.46) | ALDH1A1NPSR1 | |
| SCHEMBL21044050 | 0.81 | KDM4E (0.46) | ALDH1A1NPSR1 | |
| SCHEMBL17167845 | 0.80 | CYP2D6 (0.45) | ALDH1A1MEN1KMT2A | |
| SCHEMBL9278258 | 0.78 | BCHE (0.49) | ALDH1A1HTTMEN1KMT2ANPSR1 | |
| SCHEMBL28438368 | 0.77 | LMNA (0.52) | ALDH1A1PRKAA2HTR1AHTR7MDM2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1995001346-A1 | CHELATING COMPOUNDS | AKZO NOBEL N.V. (NL) | 1995-01-12 | — | — | WO | disclosed |