Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.52 |
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.51 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.49 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.49 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL1938810 | 1.00 | HTT (0.54) | HTTSMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL27996446 | 0.93 | HTT (0.58) | HTTSMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL2263069 | 0.86 | ITGB3 (0.58) | HTTSMN1; SMN2NPC1RAB9AITGB3 | |
| SCHEMBL2263064 | 0.86 | ITGB3 (0.58) | HTTSMN1; SMN2NPC1RAB9AITGB3 | |
| SCHEMBL2263067 | 0.86 | ITGB3 (0.58) | HTTSMN1; SMN2NPC1RAB9AITGB3 | |
| SCHEMBL20494873 | 0.85 | MEN1 (0.52) | HTTSMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL12812726 | 0.83 | KMT2A (0.64) | HTTSMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL1938768 | 0.82 | HTT (0.64) | HTTSMN1; SMN2NPC1RAB9AKMT2A | |
| SCHEMBL25217752 | 0.82 | TPSAB1 (0.59) | HTTSMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL13741073 | 0.82 | TPSAB1 (0.53) | SMN1; SMN2NPC1RAB9AMEN1KMT2A |
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-2331523-A1 | PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER | Cancer Research Technology Limited (GB) | 2011-06-15 | — | — | EP | disclosed |
| WO-2010041054-A1 | PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2010-04-15 | — | — | WO | disclosed |