Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CTSD | P07339 | 1/20 | 0.35 |
| ▸ | CPB2 | Q96IY4 | 3/20 | 0.34 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.34 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.34 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | GRN | P28799 | 1/20 | 0.34 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.34 |
| ▸ | METAP2 | P50579 | 1/20 | 0.33 |
| ▸ | METAP1 | P53582 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 4/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.33 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.33 |
| ▸ | MC4R | P32245 | 1/20 | 0.33 |
| ▸ | MC3R | P41968 | 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 | |
|---|---|---|---|---|
| SCHEMBL8271039 | 0.80 | CTSK (0.49) | — | |
| SCHEMBL1864182 | 0.78 | MEN1 (0.48) | LTA4H | |
| SCHEMBL1865655 | 0.78 | REN (0.40) | CYP2D6CPB2LTA4HGRNSORT1 | |
| SCHEMBL1862530 | 0.78 | CYP2D6 (0.46) | CYP2D6CPB2LTA4HGRNSORT1 | |
| SCHEMBL1866433 | 0.78 | CYP2D6 (0.46) | CYP2D6CPB2LTA4HGRNSORT1 | |
| SCHEMBL12631779 | 0.77 | CTSD (0.42) | CTSDCPB2LTA4HMETAP2 | |
| SCHEMBL1860873 | 0.76 | MEN1 (0.46) | LTA4H | |
| SCHEMBL1860869 | 0.76 | MEN1 (0.46) | LTA4H | |
| SCHEMBL5850026 | 0.76 | CYP2D6 (0.40) | CYP2D6LTA4HGRNSORT1METAP2 | |
| SCHEMBL3599961 | 0.76 | CYP2D6 (0.40) | CYP2D6LTA4HGRNSORT1METAP2 |
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 | CYP2D6 1615/4885CTSD 128/4885CPB2 45/4885 |
“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.