Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | SCD | O00767 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL9283102 | 0.85 | ALDH1A1 (0.53) | ALDH1A1HPGDPRKAA2BRD4ACKR3 | |
| SCHEMBL23779996 | 0.84 | FAAH (0.38) | ALDH1A1 | |
| SCHEMBL23779993 | 0.79 | CXCR4 (0.44) | ALDH1A1 | |
| SCHEMBL21044042 | 0.77 | BCHE (0.44) | ALDH1A1 | |
| SCHEMBL10063608 | 0.77 | ALDH1A1 (0.57) | ALDH1A1LMNA | |
| SCHEMBL23790290 | 0.76 | CYP1A2 (0.44) | ALDH1A1LMNA | |
| SCHEMBL21126378 | 0.74 | KMT2A (0.34) | ALDH1A1 | |
| SCHEMBL23780013 | 0.74 | P2RY12 (0.36) | P2RY12 | |
| SCHEMBL17986173 | 0.74 | KDM4E (0.55) | ALDH1A1LMNAGFER | |
| SCHEMBL26089776 | 0.73 | KDM4E (0.38) | ALDH1A1LMNA |
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 |