Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 1/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.42 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | RARB | P10826 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HAAO | P46952 | 1/20 | 0.36 |
| ▸ | MYC | P01106 | 1/20 | 0.36 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11635261 | 0.95 | ALDH1A1 (0.40) | PRSS1PRSS2PRSS3PPARAALDH1A1 | |
| SCHEMBL11633730 | 0.81 | HAAO (0.39) | PPARAALDH1A1RARBMAPTHAAO | |
| SCHEMBL11637801 | 0.80 | KDM4E (0.43) | PPARAALDH1A1RARBMAPTHAAO | |
| SCHEMBL11637352 | 0.80 | KDM4E (0.43) | PPARAALDH1A1RARBMAPTHAAO | |
| SCHEMBL11637223 | 0.77 | CNR2 (0.45) | ALDH1A1MAPTHAAOMEN1KMT2A | |
| SCHEMBL11637786 | 0.73 | BCL2L1 (0.37) | ALDH1A1TP53MAPTCA2CYP3A4 | |
| SCHEMBL11639242 | 0.73 | HAAO (0.43) | ALDH1A1MAPTHAAOMYCKLKB1 | |
| SCHEMBL11637262 | 0.72 | KDM4E (0.42) | ALDH1A1TP53MAPTCA2CYP3A4 | |
| SCHEMBL11637724 | 0.70 | ALDH1A1 (0.45) | ALDH1A1MAPTHAAOMYCKLKB1 | |
| Phthalic Acid SCHEMBL1903327 | 0.69 | ALDH1A1 (0.66) | PRSS1PRSS2PRSS3PPARAALDH1A1 |
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-4108630-A | 1-Alkylpyrid-2-ones | ROHM AND HAAS COMPANY (US) | 1978-08-22 | — | — | US | disclosed |
| US-4038065-A | 1-ALKYLPYRID-2-ONE | ROHM AND HAAS COMPANY (US) | 1977-07-26 | — | — | US | disclosed |