Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.46 |
| ▸ | NOS3 | P29474 | 1/20 | 0.45 |
| ▸ | NOS2 | P35228 | 1/20 | 0.45 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 5/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.33 |
| ▸ | HEXA | P06865 | 1/20 | 0.33 |
| ▸ | HEXB | P07686 | 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 | |
|---|---|---|---|---|
| SCHEMBL1576980 | 0.84 | NOS3 (0.54) | HRH3NOS3NOS2HRH4PDPK1 | |
| SCHEMBL10618268 | 0.80 | SMN1; SMN2 (0.40) | HRH4SMN1; SMN2KMT2A | |
| SCHEMBL6361284 | 0.77 | NOS2 (0.59) | HRH3NOS3NOS2HRH4PDPK1 | |
| SCHEMBL17682095 | 0.77 | NOS3 (0.39) | HRH3NOS3NOS2 | |
| SCHEMBL1577063 | 0.76 | NOS2 (0.52) | HRH3NOS3NOS2HRH4SMN1; SMN2 | |
| SCHEMBL1427693 | 0.75 | — | — | |
| SCHEMBL718227 | 0.74 | HSP90AB1 (0.56) | HRH3NOS3NOS2HRH4SMN1; SMN2 | |
| SCHEMBL16011044 | 0.74 | NOS3 (0.36) | NOS3NOS2 | |
| SCHEMBL5748988 | 0.74 | HRH3 (0.46) | HRH3NOS3NOS2HRH4PDPK1 | |
| SCHEMBL26069745 | 0.74 | HSP90AA1 (0.58) | HRH3NOS3NOS2HRH4PDPK1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3811974-A1 | TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS | Infinity Pharmaceuticals, Inc. (US) | 2021-04-28 | — | — | EP | disclosed |
| EP-3441392-A1 | A PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION | Intellikine, LLC (US) | 2019-02-13 | — | — | EP | disclosed |
| US-9655892-B2 | Certain chemical entities, compositions and methods | INTELLIKINE LLC (US) | 2017-05-23 | — | — | US | disclosed |
| US-20120329776-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INTELLIKINE, INC. | 2012-12-27 | — | — | US | disclosed |
| US-20120245169-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | INTELLIKINE LLC | 2012-09-27 | — | — | US | disclosed |
| US-20120149701-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | INTELLIKINE, INC. | 2012-06-14 | — | — | US | disclosed |
| US-8193182-B2 | Substituted isoquinolin-1(2H)-ones, and methods of use thereof | INTELLIKINE, INC. (US) | 2012-06-05 | — | — | US | disclosed |
| US-20120122838-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INFINITY PHARMACEUTICALS, INC. | 2012-05-17 | — | — | US | disclosed |
| US-20120059000-A1 | CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION | INFINITY PHARMACEUTICALS, INC. | 2012-03-08 | — | — | US | disclosed |
| US-20110046165-A1 | CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS | INTELLIKINE LLC | 2011-02-24 | — | — | US | disclosed |
| US-20090312319-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | INTELLIKINE | 2009-12-17 | — | — | 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 (7 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-20090312319-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | PIK3CA, PIK3CG, PIK3CB | HRH3 1491/4885NOS3 2328/4885NOS2 3566/4885 |
| US-20120059000-A1 | CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION | MAP3K13, AKT3, PIK3CA | HRH3 1913/4885NOS3 931/4885NOS2 3084/4885 |
| US-20120122838-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | PIK3CA, PIK3CD, PIK3CB | HRH3 1695/4885NOS3 1630/4885NOS2 2455/4885 |
| US-20120245169-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | PIK3CA, PIK3CG, PIK3CB | HRH3 1491/4885NOS3 2328/4885NOS2 3566/4885 |
| US-20120149701-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | PIK3CA, AKT3, PIK3C2A | HRH3 1443/4885NOS3 1246/4885NOS2 3921/4885 |
| US-20110046165-A1 | CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS | PIK3CA, AKT3, PIK3C2A | HRH3 3202/4885NOS3 1640/4885NOS2 3923/4885 |
| US-20120329776-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | PIK3CA, PIK3CD, PIK3CB | HRH3 1592/4885NOS3 2789/4885NOS2 3326/4885 |
“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.