Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.37 |
| ▸ | MTOR | P42345 | 1/20 | 0.37 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | NMT1 | P30419 | 1/20 | 0.37 |
| ▸ | SLC8A1 | P32418 | 1/20 | 0.35 |
| ▸ | MEP1B | Q16820 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3704272 | 0.74 | NLRP3 (0.42) | NLRP3GAATDP1MTORALDH1A1 | |
| Hydrochloric Acid SCHEMBL28323628 | 0.73 | NLRP3 (0.41) | NLRP3GAATDP1MTORALDH1A1 | |
| SCHEMBL12319222 | 0.72 | GAA (0.42) | NLRP3GAAMTORALDH1A1NMT1 | |
| SCHEMBL1501094 | 0.71 | GAA (0.41) | NLRP3GAAMTORALDH1A1NMT1 | |
| SCHEMBL9202133 | 0.71 | GAA (0.41) | NLRP3GAAMTORALDH1A1NMT1 | |
| SCHEMBL20260818 | 0.70 | POLB (0.51) | GAAPIK3CDPIK3CAPIK3CBMTOR | |
| SCHEMBL20261061 | 0.68 | NLRP3 (0.45) | NLRP3PIK3CAPIK3CGALDH1A1SMN1; SMN2 | |
| SCHEMBL23691723 | 0.67 | GAA (0.39) | NLRP3GAAALDH1A1NMT1SMN1; SMN2 | |
| SCHEMBL21468600 | 0.65 | POLB (0.37) | PIK3CDPIK3CAPIK3CBMTORPIK3CG | |
| SCHEMBL7200209 | 0.65 | PKM (0.51) | TDP1ALDH1A1MEP1B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10793547-B2 | Modulator of the cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulator | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2020-10-06 | — | — | US | disclosed |
| US-20180162839-A1 | Modulator of the Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulator | VERTEX PHARMACEUTICALS (SAN DIEGO) LLC | 2018-06-14 | — | — | 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 (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-20180162839-A1 | Modulator of the Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulator | CFTR, SLC26A4, TMEM109 | NLRP3 3143/4885GAA 1451/4885TDP1 4719/4885 |
| US-10793547-B2 | Modulator of the cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulator | CFTR, SLC26A4, TMEM109 | NLRP3 3143/4885GAA 1451/4885TDP1 4719/4885 |
“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.