Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28024297 | 0.88 | CA1 (0.48) | ALDH1A1LMNAGAAKDM4EHSD17B10 | |
| SCHEMBL28141831 | 0.86 | CA12 (0.48) | ALDH1A1LMNAGAAHSD17B10HTT | |
| SCHEMBL28142637 | 0.86 | MAPT (0.50) | ALDH1A1LMNAGAAKDM4EHSD17B10 | |
| SCHEMBL27897208 | 0.86 | DHFR (0.57) | ALDH1A1LMNAGAAKDM4EHTT | |
| SCHEMBL28142608 | 0.84 | HTT (0.57) | ALDH1A1LMNAGAAKDM4EHSD17B10 | |
| SCHEMBL28843674 | 0.84 | TP53 (0.43) | ALDH1A1LMNAGAAKDM4EHSD17B10 | |
| SCHEMBL28821082 | 0.78 | HSD17B10 (0.48) | ALDH1A1LMNAHPGDHSD17B10CYP3A4 | |
| SCHEMBL3392657 | 0.76 | GAA (0.76) | ALDH1A1LMNAGAAKDM4EHPGD | |
| SCHEMBL19752718 | 0.76 | GAA (0.76) | ALDH1A1LMNAGAAKDM4EHPGD | |
| SCHEMBL3168404 | 0.75 | CA1 (0.79) | ALDH1A1LMNAGAAKDM4EHPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-106632071-A | Preparation method of 3, 4-dihydropyrimidine-2-ketone derivative through high-efficient catalyzation of ethyl alcohol promoted titanocene dichloride | 陕西师范大学 | 2017-05-10 | — | — | CN | disclosed |
| CN-102993103-B | N1, N3-dialkyl group replaces 3,4-dihydro-pyrimidin-2 ketone derivatives and preparation method thereof | HUNAN SCI-TECH UNIV. (CN) | 2015-07-29 | — | — | CN | disclosed |