Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | PDE1A | P54750 | 1/20 | 0.33 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.33 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 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 | |
|---|---|---|---|---|
| SCHEMBL25544674 | 0.78 | PARP14 (0.37) | ALDH1A1PDE1APDE1BPDE1CKDM4E | |
| SCHEMBL25556794 | 0.78 | MAOB (0.44) | MAOB | |
| SCHEMBL25544649 | 0.74 | PRKAA2 (0.34) | ALDH1A1PDE1APDE1BPDE1CHTT | |
| SCHEMBL25544659 | 0.73 | PRKAA2 (0.40) | ALDH1A1KDM4ETP53 | |
| SCHEMBL25544776 | 0.70 | GRM5 (0.37) | MAPK14PDE1APDE1BPDE1CDRD2 | |
| SCHEMBL25544651 | 0.70 | ABL1 (0.36) | PDE1APDE1BPDE1C | |
| SCHEMBL25544319 | 0.68 | GRM2 (0.38) | HTTNPC1RAB9A | |
| SCHEMBL25544311 | 0.68 | GRM2 (0.41) | ALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL23896022 | 0.68 | ESR1 (0.39) | ALDH1A1MAPK14ESR1ESR2KDM4E | |
| SCHEMBL25544600 | 0.67 | ELANE (0.41) | ALDH1A1KDM4ENPC1RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230159504-A1 | 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) | VERTEX PHARMACEUTICALS INCORPORATED | 2023-05-25 | — | — | 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 (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-20230159504-A1 | 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) | SERPINA2, SERPINB1, SERPINE1 | ALDH1A1 542/4885MAPK14 3750/4885MAOB 2050/4885 |
“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.