Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16609226 | 1.00 | KCNN4 (0.52) | KCNN4ALDH1A1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL15398804 | 0.87 | KCNN4 (0.41) | KCNN4ALDH1A1RAB9ASMN1; SMN2CYP3A4 | |
| SCHEMBL3661357 | 0.83 | KCNN4 (0.42) | KCNN4ALDH1A1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL14613732 | 0.82 | KCNN4 (0.42) | KCNN4ALDH1A1SMN1; SMN2HSD17B10TDP1 | |
| SCHEMBL24453542 | 0.82 | CACNA1F (0.43) | KCNN4ALDH1A1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL10053574 | 0.82 | KCNN4 (0.50) | KCNN4ALDH1A1RAB9ATSHRHSD17B10 | |
| SCHEMBL18799433 | 0.79 | CACNA1F (0.44) | KCNN4ALDH1A1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL28513998 | 0.79 | KCNN4 (0.42) | KCNN4ALDH1A1RAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL27365381 | 0.78 | KCNN4 (0.54) | KCNN4ALDH1A1CYP3A4THRBALOX15 | |
| SCHEMBL16550481 | 0.78 | KCNN4 (0.50) | KCNN4ALDH1A1HIF1AHSD17B10L3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1399446-A1 | 2,6,9-SUBSTITUTED PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS | Cyclacel Limited (GB) | 2004-03-24 | — | — | EP | disclosed |
| WO-2003002565-A1 | 2,6,9-SUBSTITUTED PURINE DERIVATIVES AND THEIR USE N THE TREATMENT OF PROLIFERATIVE DISORDERS | CYCLACEL LIMITED (GB) | 2003-01-09 | — | — | WO | disclosed |