Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.87 |
| ▸ | POLB | P06746 | 1/20 | 0.70 |
| ▸ | MEN1 | O00255 | 1/20 | 0.69 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.69 |
| ▸ | KIF11 | P52732 | 1/20 | 0.65 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.63 |
| ▸ | GAA | P10253 | 1/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.63 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.63 |
| ▸ | CA12 | O43570 | 1/20 | 0.60 |
| ▸ | CA1 | P00915 | 1/20 | 0.60 |
| ▸ | CA2 | P00918 | 1/20 | 0.60 |
| ▸ | CA7 | P43166 | 1/20 | 0.60 |
| ▸ | CA9 | Q16790 | 1/20 | 0.60 |
| ▸ | PKM | P14618 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL14413641 | 0.93 | ALDH1A1 (1.00) | ALDH1A1POLBMEN1KMT2AL3MBTL1 | |
| SCHEMBL4254046 | 0.84 | ALDH1A1 (0.63) | ALDH1A1GAAHSD17B10TSHRSMN1; SMN2 | |
| SCHEMBL5342395 | 0.83 | ALDH1A1 (0.61) | ALDH1A1POLBMEN1KMT2AKIF11 | |
| SCHEMBL14413867 | 0.82 | ALDH1A1 (0.70) | ALDH1A1POLBKMT2AKIF11L3MBTL1 | |
| SCHEMBL29506643 | 0.82 | ALDH1A1 (0.70) | ALDH1A1POLBKMT2AKIF11L3MBTL1 | |
| SCHEMBL19752615 | 0.82 | ALDH1A1 (0.70) | ALDH1A1POLBKMT2AKIF11L3MBTL1 | |
| SCHEMBL1227524 | 0.81 | HSD17B10 (0.77) | ALDH1A1MEN1KMT2AKIF11L3MBTL1 | |
| SCHEMBL19752680 | 0.81 | HSD17B10 (0.77) | ALDH1A1MEN1KMT2AKIF11L3MBTL1 | |
| SCHEMBL19752697 | 0.81 | ALDH1A1 (0.68) | ALDH1A1KIF11L3MBTL1GAAHSD17B10 | |
| SCHEMBL19752699 | 0.81 | ALDH1A1 (0.68) | ALDH1A1KIF11L3MBTL1GAAHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007101213-A2 | NOVEL 2-OXO-1,2,3,4-TETRAHYDROPYRIMIDINES, BICYCLIC PYRIMIDINE DIONES AND IMIDAZOLIDINE-2,4-DIONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS | KALYPSYS, INC. (US) | 2007-09-07 | — | — | WO | disclosed |