Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPRB | P23467 | 9/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | CTSS | P25774 | 6/20 | 0.46 |
| ▸ | CTSK | P43235 | 5/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.45 |
| ▸ | CTSB | P07858 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL31689469 | 0.91 | KLK5 (0.52) | PTPRBCTSSCTSKCTSLCTSB | |
| SCHEMBL7736843 | 0.88 | PTPRB (0.47) | PTPRBCTSSCTSKCYP1A2CYP2C9 | |
| SCHEMBL3820732 | 0.87 | ACE (0.57) | PTPRBCTSSCTSKCTSLCTSB | |
| SCHEMBL7988834 | 0.86 | BCL2 (0.55) | PTPRBCTSSCTSKALDH1A1CTSL | |
| SCHEMBL25095271 | 0.86 | LMNA (0.57) | PTPRBRECQLALDH1A1 | |
| SCHEMBL14803767 | 0.84 | PPARG (0.53) | HPGDCTSSCTSKCYP1A2CYP2C9 | |
| SCHEMBL20045974 | 0.84 | PPARG (0.53) | HPGDCTSSCTSKCYP1A2CYP2C9 | |
| SCHEMBL1826124 | 0.84 | ITGB3 (0.48) | CTSSCTSKCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1826126 | 0.84 | ITGB3 (0.48) | CTSSCTSKCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7742078 | 0.84 | HDAC8 (0.48) | CTSSCTSKCYP1A2CYP2C9CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023025861-A1 | NEW VASHS INHIBITORS, CONJUGATES THEREOF AND THEIR USES AS DRUGS OR AS RESEARCH TOOLS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2023-03-02 | — | — | WO | disclosed |
| US-6420424-B1 | ADMINISTERING PHENYLALANINE AMIDE DERIVATIVES (SUCH AS S-ETHYL-2-AMINO-3-(4-CHLOROPHENYL)PROPIONATE HYDROCHLORIDE) TO TREAT ALLERGIC DISORDERS, INCLUDING ASTHMA, RHINITIS, DERMATITUS, AND PRURITIS | SMITHKLINE BEECHAM CORPORATION | 2002-07-16 | — | — | US | disclosed |