Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | FBP1 | P09467 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11564387 | 1.00 | AKR1C3 (0.48) | AKR1C3RECQLFBP1ALDH1A1TSHR | |
| SCHEMBL13447617 | 0.88 | PKM (0.40) | AKR1C3RECQLALDH1A1TSHRCA1 | |
| SCHEMBL28391526 | 0.85 | AKR1C3 (0.47) | AKR1C3ALDH1A1TSHRHTTSMN1; SMN2 | |
| SCHEMBL28389546 | 0.85 | AKR1C3 (0.47) | AKR1C3ALDH1A1TSHRHTTSMN1; SMN2 | |
| SCHEMBL10986373 | 0.85 | NAMPT (0.49) | ALDH1A1SMN1; SMN2KMT2AMEN1PTGS2 | |
| SCHEMBL10986371 | 0.85 | NAMPT (0.49) | ALDH1A1SMN1; SMN2KMT2AMEN1PTGS2 | |
| SCHEMBL11564904 | 0.82 | GLO1 (0.63) | RECQLFBP1ALDH1A1CA1CA2 | |
| SCHEMBL10984253 | 0.81 | AKR1C3 (0.52) | AKR1C3RECQLFBP1ALDH1A1TSHR | |
| SCHEMBL10984250 | 0.81 | AKR1C3 (0.52) | AKR1C3RECQLFBP1ALDH1A1TSHR | |
| SCHEMBL4910313 | 0.81 | ALDH1A1 (0.44) | AKR1C3ALDH1A1SMN1; SMN2KMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0001769-A1 | Sulfur-containing esters of 1,4-dihydropyridine carboxylic acids, their preparation and pharmaceutical use | BAYER AG (DE) | 1979-05-16 | — | — | EP | disclosed |