Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | F2 | P00734 | 1/20 | 0.48 |
| ▸ | PLG | P00747 | 1/20 | 0.48 |
| ▸ | PLAU | P00749 | 1/20 | 0.48 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.48 |
| ▸ | KLK1 | P06870 | 1/20 | 0.48 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.48 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL18100437 | 0.79 | CES2 (0.47) | CES2CES1F2PLGPLAU | |
| SCHEMBL17988330 | 0.78 | CES2 (0.56) | CES2CES1F2PLGPLAU | |
| SCHEMBL22407025 | 0.78 | CES2 (0.60) | CES2CES1F2PLGPLAU | |
| SCHEMBL11801780 | 0.77 | CES2 (0.66) | CES2CES1F2PLGPLAU | |
| SCHEMBL11801784 | 0.77 | CES2 (0.66) | CES2CES1F2PLGPLAU | |
| SCHEMBL8485793 | 0.75 | CASP3 (0.70) | CES2CES1F2PLGPLAU | |
| SCHEMBL7035626 | 0.75 | GRIN1 (0.59) | CES2CES1F2PLGPLAU | |
| SCHEMBL103278 | 0.75 | GRIN1 (0.59) | CES2CES1F2PLGPLAU | |
| SCHEMBL29786166 | 0.75 | GRIN1 (0.59) | CES2CES1F2PLGPLAU | |
| SCHEMBL10041971 | 0.75 | CASP3 (0.70) | CES2CES1F2PLGPLAU |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023142214-A1 | 3-HYDROXY-5-(ISOXAZOL-5-YL) PYRIDINE FORMYLGLYCINE COMPOUNDS, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE | 中国药科大学 | 2023-08-03 | — | — | WO | disclosed |
| EP-0397364-B1 | HETEROCYCLIC GUANIDINES AS 5HT 3 ANTAGONISTS | PFIZER INC. (US) | 1993-07-28 | — | — | EP | disclosed |
| EP-0397364-A1 | Heterocyclic guanidines AS 5HT 3 Antagonists | PFIZER INC. (US) | 1990-11-14 | — | — | EP | disclosed |
| US-4963689-A | ANTIEMETICS, ANALGESICS, GASTROINTESTINAL DISORDERS, SCHIZOPHRENIA | PFIZER INC. (US) | 1990-10-16 | — | — | US | disclosed |