Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.51 |
| ▸ | ICAM1 | P05362 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | NOS3 | P29474 | 1/20 | 0.45 |
| ▸ | NOS1 | P29475 | 1/20 | 0.45 |
| ▸ | NOS2 | P35228 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL16601883 | 0.84 | CYP3A4 (0.52) | KDRCYP3A4CYP2D6CYP2C9ICAM1 | |
| SCHEMBL12538871 | 0.83 | CYP3A4 (0.54) | KDRCYP3A4CYP2D6CYP2C9ICAM1 | |
| SCHEMBL12606994 | 0.82 | CYP3A4 (0.50) | KDRCYP3A4CYP2D6CYP2C9ICAM1 | |
| SCHEMBL24027019 | 0.81 | LMNA (0.56) | CYP3A4CYP2D6ALDH1A1KDM4ENOS3 | |
| SCHEMBL2236376 | 0.81 | NOS3 (0.56) | ALDH1A1KDM4ENOS3NOS1NOS2 | |
| SCHEMBL4296371 | 0.79 | KDM4E (0.49) | KDRCYP3A4CYP2D6CYP2C9ICAM1 | |
| SCHEMBL8739651 | 0.79 | NOS3 (0.52) | KDRALDH1A1NOS3NOS1NOS2 | |
| SCHEMBL2234926 | 0.77 | ALDH1A1 (0.53) | KDRALDH1A1KDM4ENOS3NOS1 | |
| SCHEMBL4725787 | 0.77 | RECQL (0.52) | CYP2D6ALDH1A1KDM4ERECQLSMN1; SMN2 | |
| SCHEMBL3456047 | 0.76 | JAK2 (0.58) | KDRCYP3A4CYP2C9CYP2C19PIK3CA |
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-20090233896-A1 | Inhibitors of checkpoint kinases | MERCK SHARP & DOHME CORP. | 2009-09-17 | — | — | US | disclosed |
| US-20090233896-A1 | Inhibitors of checkpoint kinases | MERCK SHARP & DOHME CORP. | 2009-09-17 | — | — | US | disclosed |
| US-20090233896-A1 | Inhibitors of checkpoint kinases | MERCK SHARP & DOHME CORP. | 2009-09-17 | — | — | 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-20090233896-A1 | Inhibitors of checkpoint kinases | CHEK1, CHEK2, PLK1 | KDR 3027/4885CYP3A4 4606/4885CYP2D6 4465/4885 |
“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.