Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 1/20 | 0.57 |
| ▸ | DRD2 | P14416 | 4/20 | 0.55 |
| ▸ | DRD4 | P21917 | 3/20 | 0.55 |
| ▸ | DRD3 | P35462 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | HTR2A | P28223 | 1/20 | 0.53 |
| ▸ | THPO | P40225 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | GMNN | O75496 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5334419 | 0.87 | ALDH1A1 (0.51) | DRD2DRD4DRD3ALDH1A1HSD17B10 | |
| SCHEMBL7540124 | 0.79 | SETDB1 (0.55) | DRD2DRD4DRD3HTR2ALMNA | |
| Hydrochloric Acid SCHEMBL8335595 | 0.78 | SETDB1 (0.53) | DRD2DRD4DRD3ALDH1A1KDM4E | |
| SCHEMBL5332614 | 0.77 | HTR1A (0.51) | DRD2DRD4DRD3CYP3A4HTR2A | |
| SCHEMBL14355994 | 0.77 | BRD9 (0.48) | DRD2DRD4DRD3HTR2AHTR1A | |
| SCHEMBL26097800 | 0.77 | HRH4 (0.55) | DRD2DRD4DRD3HTR2ALMNA | |
| SCHEMBL19723684 | 0.77 | SMN1; SMN2 (0.48) | ALDH1A1KDM4EHSD17B10LMNAPOLB | |
| SCHEMBL5338207 | 0.76 | BRD9 (0.47) | DRD2DRD4DRD3HTR2AHTR1A | |
| SCHEMBL13212055 | 0.76 | POLB (0.62) | DRD2DRD4DRD3ALDH1A1TSHR | |
| SCHEMBL6990507 | 0.74 | DRD2 (0.48) | DRD2DRD4DRD3HTR2AHTR1A |
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-2616469-B1 | 9H-PURINE COMPOUNDS AS PI3K-DELTA INHIBITORS AND METHODS FOR THEIR MANUFACTURE | EXELIXIS INC (US) | 2016-10-26 | — | — | EP | disclosed |
| EP-2616469-B1 | 9H-PURINE COMPOUNDS AS PI3K-DELTA INHIBITORS AND METHODS FOR THEIR MANUFACTURE | EXELIXIS INC (US) | 2016-10-26 | — | — | EP | disclosed |
| US-9346807-B2 | Inhibitors of PI3K-delta and methods of their use and manufacture | EXELIXIS, INC. (US) | 2016-05-24 | — | — | US | disclosed |
| US-9346807-B2 | Inhibitors of PI3K-delta and methods of their use and manufacture | EXELIXIS, INC. (US) | 2016-05-24 | — | — | US | disclosed |
| US-9346807-B2 | Inhibitors of PI3K-delta and methods of their use and manufacture | EXELIXIS, INC. (US) | 2016-05-24 | — | — | US | disclosed |
| US-20140058103-A1 | Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture | EXELIXIS, INC. (US) | 2014-02-27 | — | — | US | disclosed |
| US-20140058103-A1 | Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture | EXELIXIS, INC. (US) | 2014-02-27 | — | — | US | disclosed |
| US-20140058103-A1 | Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture | EXELIXIS, INC. (US) | 2014-02-27 | — | — | US | disclosed |
| EP-2616469-A1 | INHIBITORS OF PI3K-DELTA AND METHODS OF THEIR USE AND MANUFACTURE | Exelixis, Inc. (US) | 2013-07-24 | — | — | EP | disclosed |
| WO-2012037226-A1 | INHIBITORS OF PI3K-DELTA AND METHODS OF THEIR USE AND MANUFACTURE | EXELIXIS, INC. (US) | 2012-03-22 | — | — | WO | disclosed |
| WO-2012037226-A1 | INHIBITORS OF PI3K-DELTA AND METHODS OF THEIR USE AND MANUFACTURE | EXELIXIS, INC. (US) | 2012-03-22 | — | — | 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-20140058103-A1 | Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture | PIK3CD, PIK3CA, PIK3R5 | CHRM3 4622/4885DRD2 4067/4885DRD4 4257/4885 |
“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.