Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | CTSC | P53634 | 10/20 | 0.52 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.50 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.50 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | ALPI | P09923 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | XIAP | P98170 | 1/20 | 0.41 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 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 | |
|---|---|---|---|---|
| Isoleucine SCHEMBL8483685 | 1.00 | CYP2C19 (0.53) | CYP2C19CTSCSLC1A3SLC1A2SLC1A1 | |
| SCHEMBL43292 | 0.85 | CYP2C19 (0.70) | CYP2C19CTSCSLC1A3SLC1A2SLC1A1 | |
| SCHEMBL43293 | 0.85 | CYP2C19 (0.70) | CYP2C19CTSCSLC1A3SLC1A2SLC1A1 | |
| SCHEMBL288244 | 0.85 | CYP2C19 (0.70) | CYP2C19CTSCSLC1A3SLC1A2SLC1A1 | |
| Hydrochloric Acid SCHEMBL7382497 | 0.84 | CYP2C19 (0.68) | CYP2C19CTSCSLC1A3SLC1A2SLC1A1 | |
| Hydrochloric Acid SCHEMBL7382495 | 0.84 | CYP2C19 (0.68) | CYP2C19CTSCSLC1A3SLC1A2SLC1A1 | |
| SCHEMBL8483688 | 0.82 | CTSC (0.47) | CYP2C19CTSCSLC1A3SLC1A2SLC1A1 | |
| Glycine SCHEMBL8101008 | 0.80 | CYP2C19 (0.62) | CYP2C19CTSCSLC1A3SLC1A2SLC1A1 | |
| D-Phenylalanine SCHEMBL1537166 | 0.79 | SLC7A5 (0.69) | CTSCSLC1A3SLC1A2SLC1A1ALPI | |
| Phenylalanine SCHEMBL1537266 | 0.79 | SLC7A5 (0.69) | CTSCSLC1A3SLC1A2SLC1A1ALPI |
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 |
|---|---|---|---|---|---|---|---|
| US-5892038-A | ENZYME INHIBITORS FOR TREATMENT OF DISEASES SUCH AS MALARIA | PHARMACOPEIA, INC. (US) | 1999-04-06 | — | — | US | claimed |
| US-5734054-A | Hydroxy-amino acid amides | PHARMACOPEIA, INC. (US) | 1998-03-31 | — | — | US | disclosed |