Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GLS | O94925 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18352875 | 0.75 | CES1 (0.42) | CES1HSD17B10HTTALDH1A1MAPT | |
| SCHEMBL22272749 | 0.75 | POLB (0.62) | CES1HSD17B10SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL7453197 | 0.74 | SMN1; SMN2 (0.43) | CES1HSD17B10SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL368639 | 0.72 | HSD17B10 (0.50) | CES1HSD17B10HTTSMN1; SMN2ALDH1A1 | |
| SCHEMBL27264408 | 0.72 | TSHR (0.42) | CES1HSD17B10HTTSMN1; SMN2ALDH1A1 | |
| SCHEMBL17967149 | 0.72 | FFAR1 (0.48) | CES1ALDH1A1KMT2ALMNAMEN1 | |
| SCHEMBL8356502 | 0.72 | HSD17B10 (0.47) | HSD17B10SMN1; SMN2ALDH1A1GLSMAPT | |
| SCHEMBL25144949 | 0.71 | ALDH1A1 (0.40) | CES1HSD17B10SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL19948875 | 0.70 | ALDH1A1 (0.40) | CES1HSD17B10SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL9800508 | 0.69 | ALDH1A1 (0.41) | CES1HSD17B10SMN1; SMN2ALDH1A1MAPT |
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-5691329-A | Compounds containing basic and acidic termini useful as fibrinogen receptor antagonists | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-11-25 | — | — | US | disclosed |
| US-5563158-A | CARDIOVASCULAR DISORDERS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-10-08 | — | — | US | disclosed |
| WO-1995018111-A1 | COMPOUNDS CONTAINING BASIC AND ACIDIC TERMINI USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-07-06 | — | — | WO | disclosed |