Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.30 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.30 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.30 |
| ▸ | PARP1 | P09874 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12603534 | 0.70 | GAA (0.36) | GAACES1POLBALDH1A1LMNA | |
| SCHEMBL2307894 | 0.68 | GAA (0.55) | GAACES1POLBALDH1A1LMNA | |
| SCHEMBL3350738 | 0.64 | GAA (0.35) | GAACES1POLBALDH1A1LMNA | |
| SCHEMBL1122615 | 0.64 | GAA (0.35) | GAACES1POLBALDH1A1LMNA | |
| SCHEMBL1123030 | 0.64 | GAA (0.35) | GAACES1POLBALDH1A1LMNA | |
| SCHEMBL10038365 | 0.63 | CES1 (0.52) | CES1POLBALDH1A1LMNAHRH1 | |
| SCHEMBL15403204 | 0.63 | CES1 (0.41) | GAACES1POLB | |
| SCHEMBL5946028 | 0.63 | CA12 (0.44) | GAACES1POLBLMNA | |
| Hydrochloric Acid SCHEMBL9847690 | 0.62 | HRH1 (0.30) | HRH1HRH4 | |
| SCHEMBL14718279 | 0.62 | PDE3B (0.38) | CES1ALDH1A1LMNAMAPTHRH1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5334591-A | Useful in the treatment of ocular hypertension and glaucoma | MERCK & CO., INC. (US) | 1994-08-02 | — | — | US | disclosed |
| EP-0543497-A1 | Tricyclic thienothiopyrans as antiglancoma agents | MERCK & CO. INC. (US) | 1993-05-26 | — | — | EP | disclosed |
| US-5175284-A | Glaucoma | MERCK & CO., INC. (US) | 1992-12-29 | — | — | US | disclosed |