Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.72 |
| ▸ | CA4 | P22748 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | LTA4H | P09960 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | EDNRA | P25101 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | EDNRB | P24530 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL18843403 | 0.82 | ALDH1A1 (0.53) | ALDH1A1CA4MAPTLTA4HGAA | |
| SCHEMBL16142360 | 0.80 | CA4 (0.59) | ALDH1A1CA4MAPTLTA4HEDNRA | |
| SCHEMBL30943497 | 0.79 | SMN1; SMN2 (0.61) | ALDH1A1GAAMAPK1SMN1; SMN2CHRNA7 | |
| SCHEMBL10376420 | 0.79 | SMN1; SMN2 (0.61) | ALDH1A1GAAMAPK1SMN1; SMN2CHRNA7 | |
| SCHEMBL10537566 | 0.79 | SMN1; SMN2 (0.61) | ALDH1A1GAAMAPK1SMN1; SMN2CHRNA7 | |
| SCHEMBL31146730 | 0.79 | SMN1; SMN2 (0.61) | ALDH1A1GAAMAPK1SMN1; SMN2CHRNA7 | |
| SCHEMBL2682379 | 0.79 | SMN1; SMN2 (0.61) | ALDH1A1GAAMAPK1SMN1; SMN2CHRNA7 | |
| SCHEMBL23131161 | 0.78 | ALDH1A1 (0.52) | ALDH1A1CA4MAPTLTA4HGAA | |
| SCHEMBL28774641 | 0.77 | ALDH1A1 (0.50) | ALDH1A1MAPTMAPK1SMN1; SMN2HPGD | |
| SCHEMBL10785938 | 0.77 | SMN1; SMN2 (0.52) | ALDH1A1MAPTGAASMN1; SMN2TP53 |
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-116874433-A | Pyrimidine compound and synthetic method and application thereof | 上海应用技术大学 | 2023-10-13 | — | — | CN | claimed |
| CN-116874433-A | Pyrimidine compound and synthetic method and application thereof | 上海应用技术大学 | 2023-10-13 | — | — | CN | disclosed |
| CN-111138325-B | Preparation method of (Z) -beta-sulfonyl enamine compound | 台州学院 | 2021-11-30 | — | — | CN | disclosed |