Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 2/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10280029 | 0.75 | CCR1 (0.39) | ALDH1A1CACNA1BKMT2AMEN1EPHX2 | |
| SCHEMBL765266 | 0.73 | CA1 (0.36) | ALDH1A1KDM4EPKM | |
| SCHEMBL3256076 | 0.72 | PDE5A (0.41) | ALDH1A1MAPTGAASMN1; SMN2KMT2A | |
| SCHEMBL5563634 | 0.72 | PDE5A (0.41) | ALDH1A1MAPTGAASMN1; SMN2KMT2A | |
| SCHEMBL18750632 | 0.71 | CACNA1G (0.48) | ALDH1A1MAPTGAAHPGDTP53 | |
| SCHEMBL12101100 | 0.71 | EPHX2 (0.36) | GAASCN9AEPHX2 | |
| SCHEMBL11959792 | 0.70 | DRD2 (0.34) | ALDH1A1KMT2AEPHX2 | |
| SCHEMBL13889887 | 0.68 | GAA (0.42) | ALDH1A1MAPTKDM4EGAAHPGD | |
| SCHEMBL3256606 | 0.67 | LMNA (0.42) | ALDH1A1MAPTKDM4EGAAHPGD | |
| SCHEMBL6246219 | 0.67 | GAA (0.60) | MAPTGAA |
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-1577301-B1 | Antithrombotic diaminocyclohexane derivatives | DAIICHI SANKYO CO LTD (JP) | 2012-09-12 | — | — | EP | disclosed |