Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | PDE4A | P27815 | 1/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.46 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | USP1 | O94782 | 1/20 | 0.44 |
| ▸ | WDR48 | Q8TAF3 | 1/20 | 0.44 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8009110 | 0.85 | CYP3A4 (0.50) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL3852234 | 0.85 | KDM4C (0.49) | ALDH1A1CYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL3302002 | 0.85 | MEN1 (0.47) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL16145955 | 0.81 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10 | |
| SCHEMBL13906518 | 0.81 | TLR7 (0.43) | ALDH1A1MAPK1KDM4EPKMPOLB | |
| SCHEMBL17017484 | 0.81 | KDM4C (0.59) | ALDH1A1CYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL30850661 | 0.81 | KDM4C (0.59) | ALDH1A1CYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL16147023 | 0.80 | PRMT1 (0.52) | ALDH1A1CYP3A4MAPK1SMN1; SMN2KDM4E | |
| SCHEMBL16146133 | 0.79 | TMIGD3 (0.56) | MAPK1KMT2A | |
| SCHEMBL16146671 | 0.79 | AURKA (0.54) | ALDH1A1CYP1A2CYP3A4CYP2C19CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8846696-B2 | Purine derivatives | CYCLACEL LIMITED (GB) | 2014-09-30 | — | — | US | disclosed |
| US-20090325983-A1 | NEW PURINE DERIVATIVES | CYCLACEL LIMITED (GB) | 2009-12-31 | — | — | US | disclosed |
| US-7582642-B2 | 4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2-methyl-hexan-3-ol;antiproliferative agents; viricides; alopecia; strokes; central nervous system diorders; neurodegenerative diseases; antidiabetic agents; mitosis; cyclin dependent kinase inhibitors; protein kinase inhibitors | CYCLACEL LIMITED (GB) | 2009-09-01 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090325983-A1 | NEW PURINE DERIVATIVES | C5, CYC1, CCNH | ALDH1A1 1573/4885PDE4A 1465/4885PDE4B 1594/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.