Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | DRD4 | P21917 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 7/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | AURKA | O14965 | 2/20 | 0.43 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6530755 | 0.99 | ALDH1A1 (0.49) | ALDH1A1DRD4PARP1KDM4EHSD17B10 | |
| SCHEMBL6530953 | 0.95 | AURKA (0.45) | ALDH1A1PARP1AURKAAURKB | |
| SCHEMBL12846726 | 0.88 | AURKA (0.40) | ALDH1A1PARP1AURKAAURKB | |
| SCHEMBL6521959 | 0.86 | AURKA (0.51) | PARP1AURKAAURKB | |
| SCHEMBL6521353 | 0.85 | MEN1 (0.53) | DRD4PARP1AURKAAURKB | |
| SCHEMBL6522337 | 0.84 | AURKA (0.55) | ALDH1A1DRD4PARP1KDM4EAURKA | |
| SCHEMBL6532315 | 0.84 | TLR9 (0.44) | PARP1AURKAAURKB | |
| SCHEMBL6526943 | 0.82 | NPC1 (0.49) | PARP1TSHRAURKA | |
| SCHEMBL6522974 | 0.81 | MAPK1 (0.52) | ALDH1A1PARP1MAPK1AURKAAURKB | |
| SCHEMBL6532672 | 0.81 | PARP1 (0.54) | ALDH1A1DRD4PARP1AURKAAURKB |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8735584-B2 | Protein kinase inhibitors and use thereof | MERCK PATENT GMBH (DE) | 2014-05-27 | — | — | US | disclosed |
| EP-2254889-B1 | PROTEIN KINASE INHIBITORS AND USE THEREOF | MERCK PATENT GMBH (DE) | 2012-12-19 | — | — | EP | disclosed |
| EP-2254889-B1 | PROTEIN KINASE INHIBITORS AND USE THEREOF | MERCK PATENT GMBH (DE) | 2012-12-19 | — | — | EP | disclosed |
| US-20110053906-A1 | PROTEIN KINASE INHIBITORS AND USE THEREOF | MERCK PATENT GMBH (DE) | 2011-03-03 | — | — | US | disclosed |
| WO-2009108670-A1 | PROTEIN KINASE INHIBITORS AND USE THEREOF | MERCK SERONO S.A. (CH) | 2009-09-03 | — | — | WO | 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-20110053906-A1 | PROTEIN KINASE INHIBITORS AND USE THEREOF | MAP4K2, MAP3K20, MAP4K1 | ALDH1A1 4501/4885DRD4 4351/4885PARP1 1693/4885 |
“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.