Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | FABP4 | P15090 | 1/20 | 0.42 |
| ▸ | REN | P00797 | 5/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.40 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.40 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.40 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.40 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27737881 | 1.00 | ALDH1A1 (0.44) | ALDH1A1FABP4RENCYP3A4HSD17B2 | |
| SCHEMBL971537 | 1.00 | ALDH1A1 (0.44) | ALDH1A1FABP4RENCYP3A4HSD17B2 | |
| SCHEMBL3317847 | 1.00 | ALDH1A1 (0.44) | ALDH1A1FABP4RENCYP3A4HSD17B2 | |
| SCHEMBL3317851 | 1.00 | ALDH1A1 (0.44) | ALDH1A1FABP4RENCYP3A4HSD17B2 | |
| SCHEMBL21928893 | 0.88 | ALDH1A1 (0.54) | ALDH1A1FABP4L3MBTL1KDM4E | |
| SCHEMBL21926398 | 0.88 | ALDH1A1 (0.54) | ALDH1A1FABP4L3MBTL1KDM4E | |
| SCHEMBL21926852 | 0.88 | ALDH1A1 (0.54) | ALDH1A1FABP4L3MBTL1KDM4E | |
| SCHEMBL23365129 | 0.87 | HSD17B2 (0.46) | HSD17B2DPP4DPP7OPRM1OPRD1 | |
| SCHEMBL5508506 | 0.85 | CHRM3 (0.46) | CYP3A4CACNA2D1CACNA1BCACNB1CACNA1C | |
| SCHEMBL5508508 | 0.85 | CHRM3 (0.46) | CYP3A4CACNA2D1CACNA1BCACNB1CACNA1C |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8487108-B2 | Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors | VITAE PHARMACEUTICALS, INC. (US) | 2013-07-16 | — | — | US | disclosed |
| CN-101528723-B | Renin inhibitors | VITAE PHARMACEUTICALS INC | 2013-04-10 | — | — | CN | 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-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-20100184805-A1 | RENIN INHIBITORS | VITAE PHARMACEUTICALS, INC. | 2010-07-22 | — | — | US | disclosed |
| US-20100048636-A1 | Aspartic Protease Inhibitors | VITAE PHARMACEUTICALS, INC. | 2010-02-25 | — | — | US | disclosed |
| US-20090264432-A1 | Piperidine and Morpholine Renin Inhibitors | VITAE PHARMACEUTICALS, INC. | 2009-10-22 | — | — | US | disclosed |
| CN-101528723-A | Renin inhibitors | VITAE PHARMACEUTICALS INC (US) | 2009-09-09 | — | — | CN | disclosed |
| US-20090186884-A1 | such as N-(3-amino-2-hydroxypropyl)-3-(1-(2-(2-ethylphenoxy)phenyl)-1-hydroxy-5-;methoxypentyl)piperidine-1-carboxamide, used for the treatment of cardiovascular disorders | VITAE PHARMACEUTICALS, INC. | 2009-07-23 | — | — | US | disclosed |
| CN-101356156-A | Aspartic protease inhibitors | VITAE PHARMACEUTICALS INC (US) | 2009-01-28 | — | — | CN | disclosed |
| EP-1966139-A1 | ASPARTIC PROTEASE INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007070201-A1 | ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-06-21 | — | — | 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 (4 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-20100048636-A1 | Aspartic Protease Inhibitors | DNPEP, PEPD, SERPINB1 | ALDH1A1 1416/4885FABP4 3451/4885REN 180/4885 |
| US-20100184805-A1 | RENIN INHIBITORS | ACE, REN, ACE2 | ALDH1A1 1238/4885FABP4 1162/4885REN 2/4885 |
| US-20090186884-A1 | such as N-(3-amino-2-hydroxypropyl)-3-(1-(2-(2-ethylphenoxy)phenyl)-1-hydroxy-5-;methoxypentyl)piperidine-1-carboxamide, used for the treatment of cardiovascular disorders | DNPEP, ACE, DPEP1 | ALDH1A1 784/4885FABP4 1162/4885REN 13/4885 |
| US-20090264432-A1 | Piperidine and Morpholine Renin Inhibitors | REN, ACE, PREP | ALDH1A1 2168/4885FABP4 908/4885REN 1/4885 |
“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.