Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.38 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.35 |
| ▸ | METAP2 | P50579 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.33 |
| ▸ | GCGR | P47871 | 1/20 | 0.33 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.33 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL4908543 | 0.82 | ESR1 (0.41) | ERN1RAB9ANPC1SMN1; SMN2MEN1 | |
| SCHEMBL1335295 | 0.82 | RAB9A (0.44) | CYP2A6ERBB2METAP2RAB9ANPC1 | |
| SCHEMBL1335905 | 0.82 | XDH (0.39) | ERBB2ERN1METAP2RAB9ANPC1 | |
| SCHEMBL1335198 | 0.81 | PTGS2 (0.45) | PTGS2CYP2A6ATMPTGDR2RAB9A | |
| SCHEMBL17670183 | 0.80 | KMT2A (0.43) | ERN1MAPK14SMN1; SMN2MEN1ALDH1A1 | |
| SCHEMBL1336717 | 0.79 | CDK4 (0.49) | CYP2A6ERN1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL13592411 | 0.78 | NOTUM (0.40) | MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL3006649 | 0.78 | NOTUM (0.40) | ATMRAB9ANPC1 | |
| SCHEMBL16201312 | 0.76 | ALDH1A3 (0.49) | ERN1KMT2ACDK4CDK2 | |
| SCHEMBL26125109 | 0.75 | IDO1 (0.43) | RAB9ANPC1MEN1USP2ALDH1A1 |
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 13 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 | claimed |
| EP-2057124-A2 | COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS | IRM, LLC (BM) | 2009-05-13 | — | — | EP | claimed |
| WO-2008011611-A2 | COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS | IRM LLC (BM) | 2008-01-24 | — | — | WO | claimed |
| CN-108752335-B | 4, 5-diazafluorene derivative and preparation method and application thereof | 浙江工业大学 | 2020-03-17 | — | — | CN | disclosed |
| CN-106565713-B | 2 '-pyrazoles -1H- imidazoles [4,5-f] [1,10] Féraud quinoline derivants and its preparation method and application | 浙江工业大学 | 2019-01-15 | — | — | CN | disclosed |
| CN-106565713-A | 2'-pyrazol-1H-imidazole [4,5-f][1,10] phenanthroline derivate and preparing method and application thereof | 浙江工业大学 | 2017-04-19 | — | — | CN | 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 |
| US-20090306039-A1 | COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS | IRM LLC (BM) | 2009-12-10 | — | — | US | disclosed |
| CN-101490010-A | Compounds and compositions as ITPKB inhibitors | IRM LLC (VG) | 2009-07-22 | — | — | CN | 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 | PTGS2 1956/4885CYP2A6 4752/4885ERBB2 2176/4885 |
“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.