Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.77 |
| ▸ | POLB | P06746 | 1/20 | 0.77 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.77 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.72 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.68 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.65 |
| ▸ | TACR1 | P25103 | 1/20 | 0.64 |
| ▸ | MEN1 | O00255 | 2/20 | 0.60 |
| ▸ | GAA | P10253 | 2/20 | 0.60 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL11195264 | 0.92 | ALDH1A1 (0.83) | ALDH1A1POLBSMN1; SMN2KMT2AL3MBTL1 | |
| SCHEMBL10670574 | 0.91 | ALDH1A1 (0.66) | ALDH1A1POLBSMN1; SMN2KMT2AL3MBTL1 | |
| SCHEMBL11661567 | 0.90 | ALDH1A1 (0.87) | ALDH1A1POLBSMN1; SMN2KMT2AL3MBTL1 | |
| SCHEMBL10666586 | 0.89 | ALDH1A1 (0.65) | ALDH1A1POLBSMN1; SMN2KMT2AL3MBTL1 | |
| SCHEMBL21311838 | 0.89 | ALDH1A1 (0.69) | ALDH1A1POLBSMN1; SMN2KMT2AL3MBTL1 | |
| SCHEMBL7388960 | 0.87 | ALDH1A1 (0.61) | ALDH1A1POLBSMN1; SMN2KMT2AL3MBTL1 | |
| SCHEMBL13182624 | 0.87 | ALDH1A1 (0.61) | ALDH1A1POLBSMN1; SMN2KMT2AL3MBTL1 | |
| SCHEMBL3310703 | 0.87 | ALDH1A1 (0.61) | ALDH1A1POLBSMN1; SMN2KMT2AL3MBTL1 | |
| SCHEMBL10669910 | 0.85 | ALDH1A1 (0.59) | ALDH1A1POLBSMN1; SMN2KMT2AL3MBTL1 | |
| SCHEMBL14280331 | 0.84 | ACHE (0.58) | ALDH1A1POLBSMN1; SMN2KMT2AL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5344830-A | Anitinflammatory, cardiovascular, analgesic, central nervous system | MERCK & CO., INC. (US) | 1994-09-06 | — | — | US | disclosed |
| WO-1994013646-A1 | N,N-DIACYLPIPERAZINE TACHYKININ ANTAGONISTS | MERCK & CO., INC. (US) | 1994-06-23 | — | — | WO | disclosed |
| US-5292726-A | N,N-diacylpiperazines | MERCK & CO., INC. (US) | 1994-03-08 | — | — | US | disclosed |
| WO-1992020661-A1 | N, N-DIACYLPIPERAZINES | MERCK & CO., INC. (US) | 1992-11-26 | — | — | WO | disclosed |