Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | NPC1 | O15118 | 4/20 | 0.35 |
| ▸ | CRHR1 | P34998 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | DHODH | Q02127 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL5159025 | 0.85 | L3MBTL1 (0.45) | ALDH1A1NPC1CRHR1POLBL3MBTL1 | |
| SCHEMBL5165151 | 0.82 | MAPK14 (0.40) | ALDH1A1NPC1CRHR1POLBL3MBTL1 | |
| SCHEMBL5164166 | 0.81 | RAB9A (0.37) | ALDH1A1NPC1POLBL3MBTL1RAB9A | |
| SCHEMBL6158103 | 0.78 | NPC1 (0.40) | ALDH1A1NPC1CRHR1L3MBTL1RAB9A | |
| SCHEMBL5164299 | 0.77 | ALDH1A1 (0.61) | ALDH1A1NPC1CRHR1L3MBTL1PIK3CG | |
| SCHEMBL5159325 | 0.77 | RAB9A (0.56) | ALDH1A1NPC1POLBRAB9ATP53 | |
| SCHEMBL5161599 | 0.76 | ALDH1A1 (0.35) | ALDH1A1HPGD | |
| SCHEMBL5164158 | 0.75 | NPC1 (0.58) | ALDH1A1NPC1L3MBTL1RAB9AHTT | |
| SCHEMBL5159300 | 0.74 | NPC1 (0.30) | NPC1 | |
| SCHEMBL5162743 | 0.73 | NPC1 (0.67) | ALDH1A1NPC1RAB9AHTTSMN1; SMN2 |
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-1756098-A2 | 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS | Cyclacel Limited (GB) | 2007-02-28 | — | — | EP | disclosed |
| WO-2005116025-A2 | 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS | CYCLACEL LIMITED (GB) | 2005-12-08 | — | — | WO | disclosed |