Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | HTT | P42858 | 3/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 4/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | LDHA | P00338 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 2/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL8736585 | 0.85 | ALDH1A1 (0.53) | ALDH1A1LMNAHTTNPC1EPHX2 | |
| SCHEMBL6700955 | 0.84 | LDHA (0.60) | ALDH1A1LMNAHTTNPC1EPHX2 | |
| SCHEMBL22554388 | 0.83 | EPHX2 (0.57) | ALDH1A1LMNAHTTNPC1EPHX2 | |
| SCHEMBL7061461 | 0.83 | KMT2A (0.57) | ALDH1A1KMT2AMEN1MAPTSMN1; SMN2 | |
| SCHEMBL4643824 | 0.83 | LMNA (0.56) | ALDH1A1LMNAHTTNPC1EPHX2 | |
| SCHEMBL29626821 | 0.82 | ALDH1A1 (0.62) | ALDH1A1LMNAHTTNPC1EPHX2 | |
| SCHEMBL10882087 | 0.82 | LMNA (0.59) | ALDH1A1LMNAHTTNPC1EPHX2 | |
| SCHEMBL198282 | 0.82 | ALDH1A1 (0.62) | ALDH1A1LMNAHTTNPC1EPHX2 | |
| SCHEMBL11187045 | 0.82 | LMNA (0.63) | ALDH1A1LMNAHTTNPC1EPHX2 | |
| SCHEMBL30859524 | 0.82 | LMNA (0.63) | ALDH1A1LMNAHTTNPC1EPHX2 |
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-0126651-A2 | 2,4-Dihydro-5-((substituted)phenyl)-4,4-disubstituted-3H-pyrazol-3-ones, 2,4-dihydro-5-((substituted)phenyl)-4, 4-disubstituted-3H-pyrazol-3-thiones, and a process for producing the same | WARNER-LAMBERT COMPANY (US) | 1984-11-28 | — | — | EP | disclosed |