Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | APP | P05067 | 1/20 | 0.53 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.53 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 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 | |
|---|---|---|---|---|
| SCHEMBL9339146 | 0.86 | TSHR (0.61) | ALDH1A1TSHRHDAC1HDAC6POLB | |
| SCHEMBL27535821 | 0.79 | TSHR (0.51) | GAAALDH1A1TSHRHDAC1HDAC6 | |
| SCHEMBL9339116 | 0.76 | SMN1; SMN2 (0.53) | ALDH1A1TSHRTHRBMEN1KMT2A | |
| SCHEMBL9341135 | 0.74 | ALDH1A1 (0.58) | ALDH1A1TSHRTHRBMEN1KMT2A | |
| Niacin SCHEMBL30945735 | 0.74 | ALDH1A1 (0.95) | GAAALDH1A1APPHCAR3HCAR2 | |
| Niacin SCHEMBL29585450 | 0.74 | ALDH1A1 (0.95) | GAAALDH1A1APPHCAR3HCAR2 | |
| Niacin SCHEMBL1992336 | 0.74 | ALDH1A1 (0.95) | GAAALDH1A1APPHCAR3HCAR2 | |
| Niacin SCHEMBL4503958 | 0.74 | ALDH1A1 (0.95) | GAAALDH1A1APPHCAR3HCAR2 | |
| SCHEMBL30977158 | 0.73 | ALDH1A1 (0.51) | GAAALDH1A1APPHCAR3HCAR2 | |
| Niacin SCHEMBL29167280 | 0.72 | ALDH1A1 (0.91) | GAAALDH1A1APPHCAR3HCAR2 |
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-5360808-A | Cardiovascular disorders, antispasmodic agents, hypotensive disorders, brains, anticonvulsants and antiepileptics | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-11-01 | — | — | US | disclosed |
| EP-0556738-A1 | Pyridinylcarbonylaminoalkyl-dihydro-oxo-pyridines, their production and their use | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-08-25 | — | — | EP | disclosed |