Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 6/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 3/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17823745 | 1.00 | PDK1 (0.49) | PDK1MEN1KMT2ANPSR1LMNA | |
| SCHEMBL20564800 | 0.88 | MEN1 (0.45) | PDK1MEN1KMT2ANPSR1LMNA | |
| SCHEMBL3195602 | 0.85 | DRD4 (0.54) | PDK1DRD4HRH3 | |
| SCHEMBL3195587 | 0.85 | DRD4 (0.54) | PDK1DRD4HRH3 | |
| SCHEMBL306377 | 0.85 | JAK2 (0.46) | PDK1MEN1KMT2ANPSR1 | |
| SCHEMBL306376 | 0.85 | JAK2 (0.46) | PDK1MEN1KMT2ANPSR1 | |
| SCHEMBL969537 | 0.85 | JAK2 (0.46) | PDK1MEN1KMT2ANPSR1 | |
| SCHEMBL23276984 | 0.83 | KMT2A (0.51) | PDK1MEN1KMT2ANPSR1CTSB | |
| SCHEMBL3643228 | 0.82 | MEN1 (0.46) | PDK1MEN1KMT2ANPSR1LMNA | |
| SCHEMBL29335644 | 0.81 | MEN1 (0.55) | PDK1MEN1KMT2ANPSR1 |
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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007117482-A2 | RENIN INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-10-18 | — | — | WO | claimed |
| US-20200283432-A1 | ZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS | AGV Discovery ENSCM (FR) | 2020-09-10 | — | — | US | disclosed |
| US-8487108-B2 | Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors | VITAE PHARMACEUTICALS, INC. (US) | 2013-07-16 | — | — | US | disclosed |
| US-8455521-B2 | Diaminoalkane aspartic protease inhibitors | VITAE PHARMACEUTICALS, INC. (US) | 2013-06-04 | — | — | US | disclosed |
| CN-101356156-B | Aspartic protease inhibitors | VITAE PHARMACEUTICALS INC | 2012-12-05 | — | — | CN | disclosed |
| EP-1966139-B1 | ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS INC (US) | 2011-12-21 | — | — | EP | disclosed |
| US-20110105506-A1 | Diaminoalkane aspartic protease inhibitors | VITAE PHARMACEUTICALS, INC. | 2011-05-05 | — | — | US | disclosed |
| US-7872028-B2 | Diaminopropanol renin inhibitors | VITAE PHARMACEUTICALS, INC. (US) | 2011-01-18 | — | — | US | disclosed |
| US-7858624-B2 | Piperidine and morpholine renin inhibitors | VITAE PHARMACEUTICALS, INC. (US) | 2010-12-28 | — | — | US | disclosed |
| US-20100317697-A1 | Renin Inhibitors | VITAE PHARMACEUTICALS, INC. | 2010-12-16 | — | — | US | disclosed |
| WO-2008124575-A1 | RENIN INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-10-16 | — | — | WO | disclosed |
| WO-2008124582-A1 | RENIN INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-10-16 | — | — | WO | disclosed |
| EP-1966139-A1 | ASPARTIC PROTEASE INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007117557-A2 | DIAMINOPROPANOL RENIN INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-10-18 | — | — | WO | disclosed |
| WO-2007117482-A2 | RENIN INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-10-18 | — | — | WO | disclosed |
| WO-2007117560-A2 | PIPERIDINE AND MORPHOLINE RENIN INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-10-18 | — | — | WO | disclosed |
| WO-2007117559-A2 | 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-2007070201-A1 | ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-06-21 | — | — | WO | 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 | PDK1 491/4885MEN1 2596/4885KMT2A 2621/4885 |
| US-20100317697-A1 | Renin Inhibitors | REN, ACE, SERPINB1 | PDK1 756/4885MEN1 2769/4885KMT2A 3759/4885 |
| US-20200283432-A1 | ZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS | MAPKAPK2, MAPK1, MAPK3 | PDK1 123/4885MEN1 2709/4885KMT2A 2506/4885 |
“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.