Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3799554 | 0.71 | CYP2A6 (0.50) | CYP2A6HDAC4DAOPIM1SLC6A2 | |
| SCHEMBL911242 | 0.71 | CYP2A6 (0.50) | CYP2A6HDAC4DAOPIM1SLC6A2 | |
| SCHEMBL2011067 | 0.71 | CYP2A6 (0.50) | CYP2A6HDAC4DAOPIM1SLC6A2 | |
| SCHEMBL14022908 | 0.71 | CYP2A6 (0.50) | CYP2A6HDAC4DAOPIM1SLC6A2 | |
| SCHEMBL389275 | 0.71 | CYP2A6 (0.50) | CYP2A6HDAC4DAOPIM1SLC6A2 | |
| SCHEMBL156699 | 0.71 | CYP2A6 (0.50) | CYP2A6HDAC4DAOPIM1SLC6A2 | |
| SCHEMBL276295 | 0.71 | CYP2A6 (0.55) | CYP2A6HDAC4DAOPIM1SLC6A2 | |
| SCHEMBL594318 | 0.71 | CYP2A6 (0.50) | CYP2A6HDAC4DAOPIM1SLC6A2 | |
| SCHEMBL5869169 | 0.71 | CYP2A6 (0.50) | CYP2A6HDAC4DAOPIM1SLC6A2 | |
| SCHEMBL288299 | 0.71 | CYP2A6 (0.50) | CYP2A6HDAC4DAOPIM1SLC6A2 |
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 9 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-7858624-B2 | Piperidine and morpholine renin inhibitors | VITAE PHARMACEUTICALS, INC. (US) | 2010-12-28 | — | — | US | disclosed |
| US-7754737-B2 | Diaminoalkane aspartic protease inhibitors | VITAE PHARMACEUTICALS, INC. (US) | 2010-07-13 | — | — | US | disclosed |
| US-20090264432-A1 | Piperidine and Morpholine Renin Inhibitors | VITAE PHARMACEUTICALS, INC. | 2009-10-22 | — | — | US | disclosed |
| US-20090018103-A1 | Diaminoalkane Aspartic Protease Inhibitors | VITAE PHARMACEUTICAL, INC (US) | 2009-01-15 | — | — | US | disclosed |
| WO-2007117560-A2 | PIPERIDINE AND MORPHOLINE RENIN INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-10-18 | — | — | WO | 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 (3 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 | CYP2A6 2233/4885HDAC4 2114/4885DAO 55/4885 |
| US-20090018103-A1 | Diaminoalkane Aspartic Protease Inhibitors | DNPEP, PEPD, ACE | CYP2A6 2233/4885HDAC4 2114/4885DAO 55/4885 |
| US-20090264432-A1 | Piperidine and Morpholine Renin Inhibitors | REN, ACE, PREP | CYP2A6 1442/4885HDAC4 606/4885DAO 1998/4885 |
“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.