Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 7/20 | 0.70 |
| ▸ | PDK2 | Q15119 | 7/20 | 0.70 |
| ▸ | PDK3 | Q15120 | 7/20 | 0.70 |
| ▸ | PDK4 | Q16654 | 7/20 | 0.70 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | SMYD3 | Q9H7B4 | 7/20 | 0.40 |
| ▸ | CD38 | P28907 | 2/20 | 0.38 |
| ▸ | CCR2 | P41597 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12466159 | 1.00 | PDK1 (0.70) | PDK1PDK2PDK3PDK4PKM | |
| SCHEMBL25780790 | 0.80 | PKM (0.52) | PDK1PDK2PDK3PDK4PKM | |
| SCHEMBL3154227 | 0.80 | PKM (0.52) | PDK1PDK2PDK3PDK4PKM | |
| SCHEMBL14347657 | 0.80 | PKM (0.52) | PDK1PDK2PDK3PDK4PKM | |
| SCHEMBL3811514 | 0.80 | ALDH1A1 (0.51) | PDK1PDK2PDK3PDK4PKM | |
| SCHEMBL19502933 | 0.78 | SMYD3 (0.44) | PDK1PDK2PDK3PDK4PKM | |
| Hydrochloric Acid SCHEMBL5748409 | 0.76 | SMYD3 (0.43) | PDK1PDK2PDK3PDK4PKM | |
| Trifluoroacetic Acid SCHEMBL852782 | 0.70 | SMYD3 (0.41) | PKMSMYD3CCR2 | |
| Trifluoroacetic Acid SCHEMBL14657132 | 0.70 | SMYD3 (0.41) | PKMSMYD3CCR2 | |
| SCHEMBL21092428 | 0.69 | EPHX1 (0.45) | SMYD3 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3227275-B1 | CD38 INHIBITORS AND METHODS OF TREATMENT | GLAXOSMITHKLINE IP NO 2 LTD (GB) | 2019-01-02 | — | — | EP | disclosed |
| US-9840496-B2 | CD38 inhibitors and methods of treatment | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2017-12-12 | — | — | US | disclosed |
| EP-3227275-A1 | CD38 INHIBITORS AND METHODS OF TREATMENT | Glaxosmithkline Intellectual Property (No. 2) Limited (GB) | 2017-10-11 | — | — | EP | disclosed |
| US-20170260164-A1 | CD38 INHIBITORS AND METHODS OF TREATMENT | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2017-09-14 | — | — | US | disclosed |
| WO-2016087975-A1 | CD38 INHIBITORS AND METHODS OF TREATMENT | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2016-06-09 | — | — | WO | disclosed |
| EP-2668162-A1 | SUBSTITUTED BI-HETEROARYL COMPOUNDS AS CDK9 INHIBITORS AND THEIR USES | Novartis AG (CH) | 2013-12-04 | — | — | EP | disclosed |
| US-20130303507-A1 | SUBSTITUTED HETERO-BIARYL COMPOUNDS AND THEIR USES | NOVARTIS AG (CH) | 2013-11-14 | — | — | US | disclosed |
| WO-2012101062-A1 | SUBSTITUTED BI-HETEROARYL COMPOUNDS AS CDK9 INHIBITORS AND THEIR USES | NOVARTIS AG (CH) | 2012-08-02 | — | — | 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 (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-20170260164-A1 | CD38 INHIBITORS AND METHODS OF TREATMENT | CD38, NQO1, NADK | PDK1 45/4885PDK2 48/4885PDK3 121/4885 |
| US-20130303507-A1 | SUBSTITUTED HETERO-BIARYL COMPOUNDS AND THEIR USES | CDK9, CDK19, CDK3 | PDK1 447/4885PDK2 522/4885PDK3 620/4885 |
“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.