Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN5A | Q14524 | 3/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | REN | P00797 | 4/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | CDK2AP1 | O14519 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1868473 | 1.00 | SCN5A (0.39) | SCN5ASCN9ACHRM2CYP2D6CHRM1 | |
| SCHEMBL3598561 | 1.00 | SCN5A (0.39) | SCN5ASCN9ACHRM2CYP2D6CHRM1 | |
| SCHEMBL1861229 | 0.93 | SCN5A (0.43) | SCN5ASCN9AREN | |
| SCHEMBL3600940 | 0.93 | SCN5A (0.43) | SCN5ASCN9AREN | |
| SCHEMBL1861227 | 0.93 | SCN5A (0.43) | SCN5ASCN9AREN | |
| SCHEMBL12631881 | 0.92 | SCN5A (0.47) | SCN5ASCN9AREN | |
| SCHEMBL1867106 | 0.91 | DRD2 (0.40) | SCN5ASCN9ACHRM2CYP2D6CHRM1 | |
| SCHEMBL1867108 | 0.91 | DRD2 (0.40) | SCN5ASCN9ACHRM2CYP2D6CHRM1 | |
| SCHEMBL1870198 | 0.91 | DRD2 (0.40) | SCN5ASCN9ACHRM2CYP2D6CHRM1 | |
| SCHEMBL28775619 | 0.88 | DRD2 (0.37) | CHRM3RENDRD2CDK2AP1CHEK1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8455521-B2 | Diaminoalkane aspartic protease inhibitors | VITAE PHARMACEUTICALS, INC. (US) | 2013-06-04 | — | — | US | disclosed |
| US-7754737-B2 | Diaminoalkane aspartic protease inhibitors | VITAE PHARMACEUTICALS, INC. (US) | 2010-07-13 | — | — | US | disclosed |
| US-20090018103-A1 | Diaminoalkane Aspartic Protease Inhibitors | VITAE PHARMACEUTICAL, INC (US) | 2009-01-15 | — | — | US | disclosed |
| EP-1807078-A1 | DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2007-07-18 | — | — | EP | disclosed |
| WO-2006042150-A1 | DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2006-04-20 | — | — | 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-20090018103-A1 | Diaminoalkane Aspartic Protease Inhibitors | DNPEP, PEPD, ACE | SCN5A 3380/4885SCN9A 4229/4885CHRM2 3967/4885 |
“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.