Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | NPC1 | O15118 | 6/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CRHR1 | P34998 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.34 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6158103 | 0.87 | NPC1 (0.40) | MAPK14ALDH1A1NPC1RAB9ARXFP1 | |
| SCHEMBL5159025 | 0.86 | L3MBTL1 (0.45) | ALDH1A1NPC1RAB9AHPGDRXFP1 | |
| SCHEMBL5164299 | 0.83 | ALDH1A1 (0.61) | ALDH1A1NPC1RAB9AKMT2ACRHR1 | |
| SCHEMBL5159455 | 0.82 | ALDH1A1 (0.36) | ALDH1A1NPC1RAB9AHPGDRXFP1 | |
| SCHEMBL5164166 | 0.82 | RAB9A (0.37) | ALDH1A1NPC1RAB9AHPGDKMT2A | |
| SCHEMBL5164158 | 0.81 | NPC1 (0.58) | ALDH1A1NPC1RAB9AHPGDRXFP1 | |
| SCHEMBL5162743 | 0.80 | NPC1 (0.67) | ALDH1A1NPC1RAB9AKMT2AMAPT | |
| SCHEMBL5737503 | 0.79 | NPC1 (0.50) | ALDH1A1NPC1RAB9AHPGDRXFP1 | |
| SCHEMBL5159325 | 0.78 | RAB9A (0.56) | ALDH1A1NPC1RAB9AHPGDKMT2A | |
| SCHEMBL5161599 | 0.77 | ALDH1A1 (0.35) | ALDH1A1HPGD |
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 9 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 |
| EP-1567522-A1 | PYRIMIDINE COMPOUNDS | Cyclacel Limited (GB) | 2005-08-31 | — | — | EP | disclosed |
| WO-2005052147-A2 | METHOD OF SCREENING FOR A MODULATOR OF CDK4 | CYCLACEL LIMITED (GB) | 2005-06-09 | — | — | WO | disclosed |
| EP-1430051-A1 | N-(4-(4-METHYLTHIAZOL-5-YL)PYRIMIDIN-2-YL)-N-PHENYLAMINES AS ANTIPROLIFERATIVE COMPOUNDS | Cyclacel Limited (GB) | 2004-06-23 | — | — | EP | disclosed |
| WO-2004043953-A1 | PYRIMIDINE COMPOUNDS | CYCLACEL LIMITED (GB) | 2004-05-27 | — | — | WO | disclosed |
| WO-2003029248-A1 | N-(4-(4-METHYLTHIAZOL-5-YL) PYRIMIDIN-2-YL) -N-PHENYLAMINES AS ANTIPROLIFERATIVE COMPOUNDS | CYCLACEL LIMITED (GB) | 2003-04-10 | — | — | WO | disclosed |
| EP-1274705-A1 | 2-SUBSTITUTED 4-HETEROARYL-PYRIMIDINES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS | Cyclacel Limited (GB) | 2003-01-15 | — | — | EP | disclosed |
| WO-2001072745-A1 | 2-SUBSTITUTED 4-HETEROARYL-PYRIMIDINES AND THEIR USE IN THE TREATMETN OF PROLIFERATIVE DISORDERS | CYCLACEL LIMITED (GB) | 2001-10-04 | — | — | WO | disclosed |