Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | RXRA | P19793 | 2/20 | 0.34 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.33 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.33 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL5162589 | 0.88 | CRHR1 (0.34) | RAB9ANPC1KMT2ARXRA | |
| SCHEMBL5159310 | 0.81 | SIGLEC9 (0.37) | NPC1KDM4EPOLBALDH1A1GAA | |
| SCHEMBL5161599 | 0.79 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL5164166 | 0.76 | RAB9A (0.37) | RAB9ASMN1; SMN2NPC1KDM4EPOLB | |
| SCHEMBL5165104 | 0.76 | — | — | |
| SCHEMBL5164151 | 0.74 | ADORA2A (0.44) | RAB9ASMN1; SMN2NPC1KDM4EPOLB | |
| SCHEMBL4173589 | 0.72 | MAPT (0.55) | RAB9ASMN1; SMN2NPC1KDM4EPOLB | |
| SCHEMBL5159300 | 0.70 | NPC1 (0.30) | NPC1 | |
| SCHEMBL6653278 | 0.69 | KMT2A (0.32) | ALDH1A1MEN1KMT2A | |
| SCHEMBL5159025 | 0.69 | L3MBTL1 (0.45) | RAB9ASMN1; SMN2NPC1POLBALDH1A1 |
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 |