Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | HTT | P42858 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.35 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL10663288 | 0.83 | ALDH1A1 (0.41) | ALDH1A1HTTRAB9AL3MBTL1LMNA | |
| SCHEMBL10727147 | 0.82 | MAPT (0.48) | ALDH1A1RAB9AL3MBTL1LMNAGLA | |
| SCHEMBL7312644 | 0.81 | MAPT (0.51) | ALDH1A1HTTLMNANPSR1TSHR | |
| SCHEMBL10666257 | 0.80 | ALDH1A1 (0.45) | ALDH1A1HTTRAB9ATSHRSMN1; SMN2 | |
| SCHEMBL9478016 | 0.75 | TDP1 (0.44) | ALDH1A1HTTRAB9AL3MBTL1LMNA | |
| SCHEMBL10667981 | 0.72 | KCNH2 (0.43) | ALDH1A1HTTSMN1; SMN2KMT2AMAPT | |
| SCHEMBL10823909 | 0.72 | KMT2A (0.40) | ALDH1A1HTTRAB9AL3MBTL1LMNA | |
| SCHEMBL15525613 | 0.70 | TSHR (0.68) | ALDH1A1HTTRAB9AL3MBTL1LMNA | |
| SCHEMBL10823902 | 0.66 | ADORA3 (0.77) | ALDH1A1LMNATSHRSMN1; SMN2KMT2A | |
| SCHEMBL3399276 | 0.65 | MAPT (0.39) | ALDH1A1HTTTSHRSMN1; SMN2GAA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4565824-A | Certain nitratoalkyl ester dihydropyridines having antihypertensive properties | BAYER AKTIENGESELLSCHAFT (DE) | 1986-01-21 | — | — | US | claimed |