Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CRHBP | P24387 | 1/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5165104 | 0.81 | — | — | |
| SCHEMBL5164158 | 0.80 | NPC1 (0.58) | ADORA2AADORA1NPC1KMT2ARAB9A | |
| SCHEMBL5161599 | 0.79 | ALDH1A1 (0.35) | ALDH1A1HPGD | |
| SCHEMBL5162743 | 0.76 | NPC1 (0.67) | ADORA2AADORA1NPC1KMT2ARAB9A | |
| SCHEMBL5164166 | 0.76 | RAB9A (0.37) | NPC1KMT2ARAB9AMAPTALDH1A1 | |
| SCHEMBL5159325 | 0.75 | RAB9A (0.56) | NPC1KMT2ARAB9AMAPTALDH1A1 | |
| SCHEMBL5159248 | 0.74 | PTGS2 (0.37) | NPC1KMT2ARAB9AMAPTALDH1A1 | |
| SCHEMBL4159233 | 0.74 | ALDH1A1 (0.65) | ADORA2AADORA1NPC1KMT2ARAB9A | |
| SCHEMBL5159310 | 0.74 | SIGLEC9 (0.37) | NPC1ALDH1A1LMNAKDM4EPOLB | |
| SCHEMBL5162589 | 0.71 | CRHR1 (0.34) | NPC1KMT2ARAB9A |
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 |