Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 5/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | CDC7 | O00311 | 1/20 | 0.43 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HCRTR1 | O43613 | 5/20 | 0.42 |
| ▸ | HCRTR2 | O43614 | 5/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.41 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.40 |
| ▸ | KMO | O15229 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | MPL | P40238 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL269412 | 0.88 | ALDH1A1 (0.50) | SCN9AALDH1A1HPGDHCRTR1HCRTR2 | |
| SCHEMBL269335 | 0.84 | ALDH1A1 (0.47) | SCN9AALDH1A1HPGDHCRTR1HCRTR2 | |
| SCHEMBL327579 | 0.78 | HSD11B1 (0.47) | ALDH1A1HSD11B1NPC1TRPA1TRPM8 | |
| SCHEMBL1572631 | 0.77 | HCRTR1 (0.43) | HCRTR1HCRTR2 | |
| SCHEMBL1572629 | 0.77 | HCRTR1 (0.43) | HCRTR1HCRTR2 | |
| SCHEMBL2189924 | 0.77 | IKBKB (0.53) | PARP1CDC7ALDH1A1HPGDHCRTR1 | |
| SCHEMBL2931884 | 0.76 | HCRTR1 (0.47) | HCRTR1HCRTR2 | |
| SCHEMBL3827319 | 0.75 | HCRTR1 (0.41) | HCRTR1HCRTR2 | |
| SCHEMBL19233127 | 0.74 | GPR52 (0.42) | ALDH1A1HPGDHCRTR1HCRTR2HSD11B1 | |
| SCHEMBL1572633 | 0.74 | HCRTR1 (0.45) | HCRTR1HCRTR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7973061-B2 | Anaplastic lymphoma kinase modulators and methods of use | EXELIXIS, INC. (US) | 2011-07-05 | — | — | US | disclosed |
| US-20090186905-A1 | ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE | EXELIXIS, INC. (US) | 2009-07-23 | — | — | 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-20090186905-A1 | ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE | ALK, BCL3, MCL1 | SCN9A 3628/4885PARP1 768/4885CDC7 565/4885 |
“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.