Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 12/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 11/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 10/20 | 0.57 |
| ▸ | TSHR | P16473 | 6/20 | 0.57 |
| ▸ | USP2 | O75604 | 5/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.55 |
| ▸ | TP53 | P04637 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL27346672 | 0.88 | CYP1A2 (0.67) | CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19 | |
| SCHEMBL27845662 | 0.84 | TTR (0.49) | CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19 | |
| SCHEMBL31506117 | 0.80 | CYP1A2 (0.65) | CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19 | |
| SCHEMBL26985646 | 0.80 | CYP1A2 (0.65) | CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19 | |
| SCHEMBL29177730 | 0.79 | AURKA (0.55) | ALDH1A1TSHRSMN1; SMN2RAB9AL3MBTL1 | |
| SCHEMBL27496738 | 0.79 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19 | |
| SCHEMBL31505978 | 0.79 | CYP1A2 (0.63) | CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19 | |
| SCHEMBL13674052 | 0.79 | CYP1A2 (0.63) | CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19 | |
| SCHEMBL21857550 | 0.79 | CYP1A2 (0.63) | CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19 | |
| SCHEMBL13674055 | 0.79 | CYP1A2 (0.63) | CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19 |
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-106496127-B | A kind of preparation method of polysubstituted pyrimidine | 苏州大学 | 2019-09-27 | — | — | CN | disclosed |
| CN-106496127-A | A kind of preparation method of polysubstituted pyrimidine | 苏州大学 | 2017-03-15 | — | — | CN | disclosed |