Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 8/20 | 0.61 |
| ▸ | CHRNB4 | P30926 | 8/20 | 0.61 |
| ▸ | CHRNA3 | P32297 | 8/20 | 0.61 |
| ▸ | CHRNA4 | P43681 | 8/20 | 0.61 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.61 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.61 |
| ▸ | GRM1 | Q13255 | 4/20 | 0.61 |
| ▸ | METAP2 | P50579 | 1/20 | 0.54 |
| ▸ | REN | P00797 | 1/20 | 0.54 |
| ▸ | BCHE | P06276 | 2/20 | 0.53 |
| ▸ | CPB2 | Q96IY4 | 2/20 | 0.51 |
| ▸ | MMP3 | P08254 | 2/20 | 0.50 |
| ▸ | MMP1 | P03956 | 1/20 | 0.50 |
| ▸ | MMP9 | P14780 | 1/20 | 0.50 |
| ▸ | CTSS | P25774 | 2/20 | 0.48 |
| ▸ | CTSK | P43235 | 2/20 | 0.48 |
| ▸ | CTSL | P07711 | 1/20 | 0.47 |
| ▸ | CTSB | P07858 | 1/20 | 0.47 |
| ▸ | NMT2 | O60551 | 1/20 | 0.47 |
| ▸ | NMT1 | P30419 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4971388 | 0.85 | CTSS (0.52) | CHRNB2CHRNB4CHRNA3CHRNA4GRIN1 | |
| SCHEMBL13739944 | 0.84 | CHRNB2 (0.49) | CHRNB2CHRNB4CHRNA3CHRNA4GRIN1 | |
| SCHEMBL1861303 | 0.82 | CTSK (0.69) | CHRNB2CHRNB4CHRNA3CHRNA4GRIN1 | |
| SCHEMBL1861306 | 0.82 | CTSK (0.69) | CHRNB2CHRNB4CHRNA3CHRNA4GRIN1 | |
| SCHEMBL5528182 | 0.79 | CTSK (0.62) | CHRNB2CHRNB4CHRNA3CHRNA4GRIN1 | |
| SCHEMBL5530338 | 0.78 | CTSK (0.57) | CHRNB2CHRNB4CHRNA3CHRNA4GRIN1 | |
| SCHEMBL8826775 | 0.78 | REN (0.70) | METAP2RENBCHE | |
| SCHEMBL3913657 | 0.77 | CTSS (0.53) | CHRNB2CHRNB4CHRNA3CHRNA4GRIN1 | |
| SCHEMBL25242606 | 0.76 | CPB2 (0.46) | CHRNB2CHRNB4CHRNA3CHRNA4GRIN1 | |
| SCHEMBL25289337 | 0.76 | CPB2 (0.46) | CHRNB2CHRNB4CHRNA3CHRNA4GRIN1 |
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 6 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-20110105506-A1 | Diaminoalkane aspartic protease inhibitors | VITAE PHARMACEUTICALS, INC. | 2011-05-05 | — | — | 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 (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-20110105506-A1 | Diaminoalkane aspartic protease inhibitors | DNPEP, PEPD, ACE | CHRNB2 4383/4885CHRNB4 4532/4885CHRNA3 4578/4885 |
| US-20090018103-A1 | Diaminoalkane Aspartic Protease Inhibitors | DNPEP, PEPD, ACE | CHRNB2 4383/4885CHRNB4 4532/4885CHRNA3 4578/4885 |
“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.