Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | DHFR | P00374 | 1/20 | 0.46 |
| ▸ | KIF11 | P52732 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5342395 | 0.81 | ALDH1A1 (0.61) | ALDH1A1KIF11MEN1KMT2APOLB | |
| SCHEMBL19752615 | 0.81 | ALDH1A1 (0.70) | ALDH1A1KIF11CA1CA2KMT2A | |
| SCHEMBL14413867 | 0.81 | ALDH1A1 (0.70) | ALDH1A1KIF11CA1CA2KMT2A | |
| SCHEMBL29506643 | 0.81 | ALDH1A1 (0.70) | ALDH1A1KIF11CA1CA2KMT2A | |
| SCHEMBL2999858 | 0.76 | KDM4E (0.65) | ALDH1A1MEN1KMT2APOLBGAA | |
| SCHEMBL11824598 | 0.72 | ADORA3 (0.73) | ALDH1A1MEN1KMT2APOLBGAA | |
| SCHEMBL19590932 | 0.71 | ALDH1A1 (0.55) | ALDH1A1DHFRCA1CA2GAA | |
| SCHEMBL1527017 | 0.70 | POLB (0.51) | ALDH1A1CA1CA2MEN1KMT2A | |
| SCHEMBL8289675 | 0.69 | DHODH (0.42) | ALDH1A1SLC6A2SLC6A4SLC6A3MEN1 | |
| SCHEMBL29155697 | 0.69 | KIF11 (0.66) | ALDH1A1DHFRKIF11CA1CA2 |
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 |