Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 1/20 | 0.36 |
| ▸ | PNLIP | P16233 | 1/20 | 0.33 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.33 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.33 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.33 |
| ▸ | CTSC | P53634 | 2/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.31 |
| ▸ | CTSS | P25774 | 2/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | HTT | P42858 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL5753832 | 0.94 | CACNA1B (0.36) | CACNA1BPNLIPITGB1ITGA4ITGB7 | |
| SCHEMBL5757143 | 0.93 | ALDH1A1 (0.35) | CACNA1BALDH1A1HPGD | |
| SCHEMBL5754339 | 0.93 | ALDH1A1 (0.35) | CACNA1BALDH1A1HPGD | |
| SCHEMBL5756531 | 0.92 | HTR2C (0.40) | HTR2CHTR2BPTPN1 | |
| SCHEMBL5752525 | 0.89 | BACE1 (0.32) | CTSCBACE1NPC1ALDH1A1HTT | |
| SCHEMBL5753443 | 0.88 | GSK3B (0.33) | ALDH1A1HTTKDM4ELMNAMAPT | |
| SCHEMBL5754702 | 0.88 | CACNA1B (0.34) | CACNA1BPNLIPITGB1ITGA4ITGB7 | |
| SCHEMBL5753219 | 0.87 | ALDH1A1 (0.34) | CACNA1BBACE1ALDH1A1LMNAHPGD | |
| SCHEMBL5754373 | 0.86 | MAPT (0.32) | CTSCBACE1CTSSALDH1A1HTT | |
| SCHEMBL5753816 | 0.84 | NPC1 (0.37) | NPC1ALDH1A1HTTKDM4ELMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0997147-B1 | AMINO ACID DERIVATIVES | ONO PHARMACEUTICAL CO (JP) | 2006-03-15 | — | — | EP | claimed |