Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.32 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 4/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | PDE5A | O76074 | 2/20 | 0.31 |
| ▸ | MGAT2 | Q10469 | 1/20 | 0.30 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12191377 | 1.00 | ALDH1A1 (0.34) | ALDH1A1NPC1RAB9ASMN1; SMN2CSNK2A1 | |
| SCHEMBL13081680 | 0.90 | TSHR (0.38) | ALDH1A1SMN1; SMN2BACE1PDE5A | |
| SCHEMBL8202860 | 0.89 | BACE1 (0.33) | ALDH1A1BACE1PDE5A | |
| SCHEMBL7550994 | 0.87 | GCGR (0.36) | ALDH1A1PDE7APDE7BPDE5A | |
| SCHEMBL7602296 | 0.85 | S1PR1 (0.37) | BACE1 | |
| SCHEMBL12191673 | 0.85 | S1PR1 (0.37) | BACE1 | |
| SCHEMBL7536890 | 0.85 | BACE1 (0.38) | BACE1 | |
| SCHEMBL7601360 | 0.84 | PDE5A (0.34) | ALDH1A1SMN1; SMN2PDE5A | |
| SCHEMBL7566811 | 0.84 | BACE1 (0.40) | BACE1 | |
| SCHEMBL12191094 | 0.84 | BACE1 (0.40) | BACE1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8183252-B2 | Heterocyclic aspartyl protease inhibitors | SCHERING CORPORATION (US) | 2012-05-22 | — | — | US | disclosed |
| US-20100292203-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION | 2010-11-18 | — | — | US | disclosed |
| US-20100292203-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION | 2010-11-18 | — | — | 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-20100292203-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | CHRM1, CHRM2, PRSS1 | ALDH1A1 4505/4885NPC1 797/4885RAB9A 2824/4885 |
“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.