Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IP6K1 | Q92551 | 11/20 | 0.79 |
| ▸ | IP6K2 | Q9UHH9 | 10/20 | 0.79 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.62 |
| ▸ | MAPT | P10636 | 4/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.62 |
| ▸ | POLB | P06746 | 3/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.62 |
| ▸ | IP6K3 | Q96PC2 | 9/20 | 0.61 |
| ▸ | HTT | P42858 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | MEN1 | O00255 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.50 |
| ▸ | GFER | P55789 | 1/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4027321 | 0.89 | IP6K1 (0.79) | IP6K1IP6K2ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL4031543 | 0.89 | IP6K1 (0.79) | IP6K1IP6K2ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL25990105 | 0.88 | IP6K1 (1.00) | IP6K1IP6K2ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL4034482 | 0.88 | IP6K1 (1.00) | IP6K1IP6K2ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL25990191 | 0.76 | IP6K1 (1.00) | IP6K1IP6K2ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL4027637 | 0.75 | POLB (0.81) | IP6K1IP6K2ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL30967410 | 0.75 | IP6K1 (1.00) | IP6K1IP6K2ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL25990260 | 0.75 | IP6K1 (1.00) | IP6K1IP6K2ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL2505119 | 0.74 | ALDH1A1 (0.69) | IP6K1IP6K2ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL2505118 | 0.74 | ALDH1A1 (0.69) | IP6K1IP6K2ALDH1A1MAPTSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1399440-B1 | 5-(2-AMINOPYRIMIDIN-4-YL)BENZISOXAZOLES AS PROTEIN KINASE INHIBITORS | VERTEX PHARMA (US) | 2009-06-03 | — | — | EP | disclosed |
| US-20050228005-A1 | Protein kinase inhibitors and uses thereof | MOON YOUNG C | 2005-10-13 | — | — | US | disclosed |
| US-6825190-B2 | 4-(1,2- OR 2,1-BENZOXAZOL-5-YL)-2-AMINOPYRIMIDINES | VERTEX PHARMACEUTICALS INCORPORATED | 2004-11-30 | — | — | US | disclosed |
| US-20040009996-A1 | Protein kinase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED | 2004-01-15 | — | — | 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-20040009996-A1 | Protein kinase inhibitors and uses thereof | GSK3A, GSK3B, JAK3 | IP6K1 278/4885IP6K2 334/4885ALDH1A1 1993/4885 |
| US-20050228005-A1 | Protein kinase inhibitors and uses thereof | GSK3A, JAK3, GSK3B | IP6K1 363/4885IP6K2 400/4885ALDH1A1 2590/4885 |
“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.