Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CNR2 | P34972 | 4/20 | 0.41 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.41 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.41 |
| ▸ | CACNA1I | Q9P0X4 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | NOS1 | P29475 | 3/20 | 0.34 |
| ▸ | NOS2 | P35228 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | G6PD | P11413 | 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 | |
|---|---|---|---|---|
| SCHEMBL31191384 | 0.80 | CYP17A1 (0.43) | CYP17A1CYP2C19CYP2C9CNR2CACNA1G | |
| SCHEMBL10141614 | 0.79 | CYP11B1 (0.43) | MAPTNOS1NOS2L3MBTL1 | |
| SCHEMBL18311367 | 0.78 | CACNA1G (0.51) | CYP2C9CNR2CACNA1GCACNA1HCACNA1I | |
| SCHEMBL18311366 | 0.78 | CACNA1G (0.51) | CYP2C9CNR2CACNA1GCACNA1HCACNA1I | |
| SCHEMBL10141679 | 0.78 | AKT1 (0.37) | KCNH2NOS1NOS2 | |
| SCHEMBL10141673 | 0.78 | CYP11B1 (0.41) | NOS1NOS2KDM4E | |
| SCHEMBL24045283 | 0.77 | ALDH1A1 (0.39) | KCNH2ALDH1A1 | |
| SCHEMBL11918259 | 0.77 | ALDH1A1 (0.44) | CYP17A1CYP2C19CYP2C9KCNH2ALDH1A1 | |
| SCHEMBL26669602 | 0.77 | CYP2C9 (0.39) | CYP17A1CYP2C19CYP2C9CNR2CACNA1G | |
| SCHEMBL10141621 | 0.76 | GGPS1 (0.40) | KDM4E |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11332463-B2 | Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors | MERCK SHARP & DOHME CORP. (US) | 2022-05-17 | — | — | US | disclosed |
| US-20210070745-A1 | SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | MERCK SHARP & DOHME CORP. (US) | 2021-03-11 | — | — | US | disclosed |
| US-10183933-B2 | Isoindolinone inhibitors of phosphatidylinositol 3-kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2019-01-22 | — | — | US | disclosed |
| US-20170260175-A1 | ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE | VERTEX PHARMACEUTICALS INCORPORATED | 2017-09-14 | — | — | US | disclosed |
| US-20170260175-A1 | ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE | VERTEX PHARMACEUTICALS INCORPORATED | 2017-09-14 | — | — | US | disclosed |
| US-9676759-B2 | Isoindolinone inhibitors of phosphatidylinositol 3-kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-06-13 | — | — | US | disclosed |
| US-20120040950-A1 | ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-16 | — | — | 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 (5 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-11332463-B2 | Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors | CHRNA7, CHRNA5, CHRNA6 | CYP17A1 1767/4885CYP2C19 2717/4885CYP2C9 2986/4885 |
| US-20120040950-A1 | ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE | PIK3CD, PIK3CA, PIK3R5 | CYP17A1 844/4885CYP2C19 3541/4885CYP2C9 4117/4885 |
| US-20210070745-A1 | SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | CHRNA7, CHRNA5, CHRNA6 | CYP17A1 1767/4885CYP2C19 2717/4885CYP2C9 2986/4885 |
| US-20170260175-A1 | ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE | PIK3CD, PIK3CA, PIK3R5 | CYP17A1 844/4885CYP2C19 3541/4885CYP2C9 4117/4885 |
| US-10183933-B2 | Isoindolinone inhibitors of phosphatidylinositol 3-kinase | PIK3CD, PIK3CA, PIK3R5 | CYP17A1 844/4885CYP2C19 3541/4885CYP2C9 4117/4885 |
“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.