Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 6/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.43 |
| ▸ | EPAS1 | Q99814 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 2/20 | 0.41 |
| ▸ | FLT3 | P36888 | 1/20 | 0.41 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | CDK1 | P06493 | 1/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10240088 | 0.92 | KCNH2 (0.46) | KCNH2HDAC1HIF1AEPAS1RAB9A | |
| SCHEMBL546189 | 0.92 | KCNH2 (0.49) | KCNH2HDAC1HIF1AEPAS1RAB9A | |
| SCHEMBL15883827 | 0.86 | NPC1 (0.57) | KCNH2HIF1AEPAS1RAB9AMAPK1 | |
| SCHEMBL546615 | 0.85 | KCNH2 (0.43) | KCNH2HDAC1HIF1AEPAS1RAB9A | |
| SCHEMBL11888569 | 0.85 | KCNH2 (0.42) | KCNH2HDAC1HIF1AEPAS1RAB9A | |
| SCHEMBL10240094 | 0.84 | KCNH2 (0.48) | KCNH2HDAC1HIF1AEPAS1RAB9A | |
| SCHEMBL12027322 | 0.82 | KCNH2 (0.46) | KCNH2HDAC1HIF1AEPAS1RAB9A | |
| SCHEMBL546288 | 0.78 | KCNH2 (0.44) | KCNH2HDAC1RAB9AMAPK1SMN1; SMN2 | |
| SCHEMBL11888568 | 0.77 | KCNH2 (0.44) | KCNH2HDAC1RAB9AACHE | |
| SCHEMBL15941228 | 0.76 | EGFR (0.49) | HIF1AEPAS1RAB9AMAPK1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8110573-B2 | Enzyme inhibitors; Cyclin-Dependent Kinases (CDK), Glycogen Synthase Kinases (GSK); -cyclopropyl-3-[3-(5-morpholin-4-ylmethyl-1H-benzoimidazol-2-yl)-1H-pyrazol-4-yl]-urea salt for example; anticancer agents | ASTEX THERAPEUTICS LIMITED (GB) | 2012-02-07 | — | — | US | disclosed |
| US-20110159111-A1 | PHARMACEUTICAL COMBINATIONS | ASTEX THERAPEUTICS LIMITED (GB) | 2011-06-30 | — | — | US | disclosed |
| US-20110105501-A1 | PHARMACEUTICAL COMBINATIONS | ASTEX THERAPEUTICS LIMITED (GB) | 2011-05-05 | — | — | 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 (2 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-20110105501-A1 | PHARMACEUTICAL COMBINATIONS | GSK3B, CDK1, GSK3A | KCNH2 3375/4885HDAC1 495/4885HIF1A 748/4885 |
| US-20110159111-A1 | PHARMACEUTICAL COMBINATIONS | SLC10A1, CYP11B2, SDHB | KCNH2 2525/4885HDAC1 1745/4885HIF1A 1824/4885 |
“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.