Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | HMGCR | P04035 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10749219 | 0.81 | ALDH1A1 (0.35) | ALDH1A1TSHRHMGCRCHRM1TBXA2R | |
| SCHEMBL11583210 | 0.77 | ALDH1A1 (0.37) | ALDH1A1TSHRHMGCRCHRM1TBXA2R | |
| SCHEMBL13347361 | 0.75 | ALDH1A1 (0.38) | ALDH1A1TSHRHMGCRCHRM1TBXA2R | |
| SCHEMBL28118493 | 0.74 | MAPT (0.45) | ALDH1A1TSHRABCC4MAPTCYP2D6 | |
| SCHEMBL5505469 | 0.73 | ALDH1A1 (0.40) | ALDH1A1TSHRHMGCRCHRM1TBXA2R | |
| SCHEMBL3774113 | 0.73 | ALDH1A1 (0.40) | ALDH1A1TSHRHMGCRCHRM1TBXA2R | |
| SCHEMBL28066531 | 0.72 | — | — | |
| SCHEMBL16823397 | 0.71 | ALDH1A1 (0.39) | ALDH1A1TSHRHMGCRCHRM1TBXA2R | |
| SCHEMBL10695777 | 0.71 | ACLY (0.37) | ALDH1A1TSHRHMGCRCHRM1TBXA2R | |
| SCHEMBL1680225 | 0.71 | ALDH1A1 (0.39) | ALDH1A1TSHRHMGCRCHRM1TBXA2R |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115073439-B | Pyrimidine compound and medical application thereof | 徐州医科大学 | 2023-10-20 | — | — | CN | disclosed |
| CN-115073439-A | Pyrimidine compound and medical application thereof | 徐州医科大学 | 2022-09-20 | — | — | CN | disclosed |
| CN-106083836-B | H based on quinazoline structure2S donor compound and application thereof | 徐州医学院 | 2021-08-20 | — | — | CN | disclosed |