Known targets — ChEMBL curated mechanism
PPARDPTGS1PTGS2dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Phenylalanine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 4/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.36 |
| ▸ | ECE1 | P42892 | 1/20 | 0.36 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.34 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.34 |
| ▸ | CAPN1 | P07384 | 2/20 | 0.33 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.33 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.33 |
| ▸ | GNPAT | O15228 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.32 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.32 |
| ▸ | PSMB9 | P28065 | 1/20 | 0.32 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.32 |
| ▸ | PSMB10 | P40306 | 1/20 | 0.32 |
| ▸ | PSMB2 | P49721 | 1/20 | 0.32 |
| ▸ | GHSR | Q92847 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Histidine SCHEMBL2164030 | 0.87 | GHSR (0.34) | ECE1C5AR1ACE2GHSR | |
| Lysine SCHEMBL2163339 | 0.86 | C5AR1 (0.33) | ECE1C5AR1GHSR | |
| Phenylalanine SCHEMBL4970684 | 0.85 | ITGB3 (0.48) | ITGB3ITGA2BERAP2LNPEPACE2 | |
| Lysine SCHEMBL2196767 | 0.79 | ITGB3 (0.46) | ITGB3ITGA2BERAP2LNPEPACE2 | |
| Phenylalanine SCHEMBL2162812 | 0.79 | KDR (0.38) | ITGB3ITGA2BECE1ERAP2LNPEP | |
| Phenylalanine SCHEMBL18297982 | 0.76 | SLC7A5 (0.50) | ITGB3ITGA2BERAP2LNPEPMMP2 | |
| Dl-Phenylalanine SCHEMBL23580654 | 0.72 | SLC7A5 (0.43) | ITGB3ITGA2BERAP2LNPEPMMP2 | |
| SCHEMBL5969682 | 0.71 | ERAP2 (0.51) | ECE1ERAP2LNPEPGNPATMMP2 | |
| Histidine SCHEMBL9224491 | 0.71 | ITGB3 (0.39) | ITGB3ITGA2BGNPATALDH1A1 | |
| SCHEMBL29397843 | 0.71 | SLC15A2 (0.46) | ITGB3ITGA2BECE1ACE2GNPAT |
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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1744755-B1 | COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS | IRM LLC (BM) | 2012-12-05 | — | — | EP | disclosed |
| US-8268996-B2 | Compounds and compositions as cathepsin S inhibitors | IRM LLC (BM) | 2012-09-18 | — | — | US | disclosed |
| US-20110245243-A1 | COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS | NOVARTIS AG | 2011-10-06 | — | — | US | disclosed |
| US-7985749-B2 | Compounds and compositions as cathepsin S inhibitors | NOVARTIS AG (CH) | 2011-07-26 | — | — | US | disclosed |
| US-20100204200-A1 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2010-08-12 | — | — | US | disclosed |
| US-7732449-B2 | Inhibitors of cathepsin S | IRM LLC (BM) | 2010-06-08 | — | — | US | disclosed |
| EP-1658267-B1 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2009-10-14 | — | — | EP | disclosed |
| EP-1744755-A4 | COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS | IRM LLC (BM) | 2009-07-15 | — | — | EP | disclosed |
| US-20090137570-A1 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2009-05-28 | — | — | US | disclosed |
| US-7507755-B2 | Inhibitors of cathepsin s | IRM LLC (BM) | 2009-03-24 | — | — | US | disclosed |
| US-20050107368-A1 | Selective in presence of at least one other cathepsin isozyme; such as 1-(5,6-dichloro-benzimidazol-1-ylmethyl)-3,3-dimethyl-butyl [2-(5-fluoro-2,3-dihydro-indol-1-yl)-1-hydroxymethyl-ethyl]carbamate | IRM LLC (BM) | 2005-05-19 | — | — | US | disclosed |
| WO-2005039496-A2 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2005-05-06 | — | — | WO | disclosed |
| WO-2005034848-A2 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2005-04-21 | — | — | WO | disclosed |
| US-20050049244-A1 | Inhibitors of cathepsin S | IRM LLC (BM) | 2005-03-03 | — | — | US | disclosed |
| WO-2005018568-A2 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2005-03-03 | — | — | WO | disclosed |
| WO-2004112709-A2 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2004-12-29 | — | — | WO | disclosed |
| US-20040248887-A1 | Inhibitors of cathepsin S | IRM LLC (BM) | 2004-12-09 | — | — | US | disclosed |
| WO-2004084843-A2 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2004-10-07 | — | — | WO | disclosed |
| WO-2004084842-A2 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2004-10-07 | — | — | WO | disclosed |
| US-20040198780-A1 | Inhibitors of cathepsin S | IRM LLC (BM) | 2004-10-07 | — | — | US | 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 (7 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-20090137570-A1 | INHIBITORS OF CATHEPSIN S | CTSS, CTSB, CTSZ | ITGB3 4157/4885ITGA2B 3561/4885ECE1 389/4885 |
| US-20050107368-A1 | Selective in presence of at least one other cathepsin isozyme; such as 1-(5,6-dichloro-benzimidazol-1-ylmethyl)-3,3-dimethyl-butyl [2-(5-fluoro-2,3-dihydro-indol-1-yl)-1-hydroxymethyl-ethyl]carbamate | CTSS, CTSZ, CTSV | ITGB3 3896/4885ITGA2B 4331/4885ECE1 133/4885 |
| US-20050049244-A1 | Inhibitors of cathepsin S | CTSS, CTSB, CTSZ | ITGB3 4157/4885ITGA2B 3561/4885ECE1 389/4885 |
| US-20040248887-A1 | Inhibitors of cathepsin S | CTSS, CTSB, CTSZ | ITGB3 4157/4885ITGA2B 3561/4885ECE1 389/4885 |
| US-20040198780-A1 | Inhibitors of cathepsin S | CTSS, CTSK, CTSE | ITGB3 4527/4885ITGA2B 4229/4885ECE1 307/4885 |
| US-20110245243-A1 | COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS | CTSS, CTSB, CTSF | ITGB3 3776/4885ITGA2B 3947/4885ECE1 298/4885 |
| US-20100204200-A1 | INHIBITORS OF CATHEPSIN S | CTSS, CTSE, CTSV | ITGB3 4501/4885ITGA2B 3559/4885ECE1 990/4885 |
“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.