Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CMA1 | P23946 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.31 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.31 |
| ▸ | ITGAL | P20701 | 1/20 | 0.31 |
| ▸ | CCR5 | P51681 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | PLK1 | P53350 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL932002 | 0.81 | NR4A1 (0.46) | CMA1ALDH1A1HSD17B10HPGDKDM4E | |
| SCHEMBL30082300 | 0.81 | NR4A1 (0.46) | CMA1ALDH1A1HSD17B10HPGDKDM4E | |
| SCHEMBL9275405 | 0.79 | PARP1 (0.44) | CMA1ALDH1A1HSD17B10HPGDKDM4E | |
| SCHEMBL30082247 | 0.79 | PARP1 (0.44) | CMA1ALDH1A1HSD17B10HPGDKDM4E | |
| SCHEMBL1093499 | 0.77 | LMNA (0.44) | ALDH1A1HSD17B10KDM4EKMT2A | |
| SCHEMBL9667563 | 0.75 | POLB (0.46) | CMA1ALDH1A1KMT2AGAARAB9A | |
| SCHEMBL6030073 | 0.74 | CMA1 (0.36) | CMA1KDM4ECCR5PLK1 | |
| SCHEMBL30368357 | 0.74 | CMA1 (0.36) | CMA1ALDH1A1KDM4EADRA1DADRA1A | |
| SCHEMBL17064029 | 0.73 | GAA (0.44) | CMA1ALDH1A1KDM4EADRA1DADRA1A | |
| SCHEMBL19903102 | 0.73 | TUBB4A (0.50) | ALDH1A1KDM4EKMT2APTPN1 |
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-3287454-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2018-02-28 | — | — | EP | disclosed |