Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 6/20 | 0.38 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP14 | P50281 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1336717 | 0.78 | CDK4 (0.49) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4244703 | 0.77 | SMN1; SMN2 (0.45) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL22607800 | 0.76 | ERN1 (0.54) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4908543 | 0.75 | ESR1 (0.41) | NPC1RAB9ASMN1; SMN2MAPTMAPK1 | |
| SCHEMBL1335295 | 0.75 | RAB9A (0.44) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL16201312 | 0.74 | ALDH1A3 (0.49) | MAPTCDK4CDK2MAPK1KMT2A | |
| Hydrochloric Acid SCHEMBL16194267 | 0.73 | ALDH1A3 (0.47) | MAPTCDK4CDK2MAPK1KMT2A | |
| SCHEMBL12893245 | 0.72 | ALDH1A1 (0.51) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4246815 | 0.71 | PTGS2 (0.47) | ALDH1A1NPC1RAB9ASMN1; SMN2CDK4 | |
| SCHEMBL1335905 | 0.71 | XDH (0.39) | ALDH1A1KDM4ENPC1RAB9ASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090306039-A1 | COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS | IRM LLC (BM) | 2009-12-10 | — | — | US | disclosed |
| US-20090306039-A1 | COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS | IRM LLC (BM) | 2009-12-10 | — | — | US | disclosed |
| US-20090306039-A1 | COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS | IRM LLC (BM) | 2009-12-10 | — | — | US | disclosed |
| EP-2057124-A2 | COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS | IRM, LLC (BM) | 2009-05-13 | — | — | EP | disclosed |
| WO-2008011611-A2 | COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS | IRM LLC (BM) | 2008-01-24 | — | — | WO | disclosed |
| WO-2008011611-A2 | COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS | IRM LLC (BM) | 2008-01-24 | — | — | 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-20090306039-A1 | COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS | IP6K1, IP6K2, IP6K3 | ALDH1A1 4470/4885KDM4E 1856/4885NPC1 880/4885 |
“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.