Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | SCN1A | P35498 | 1/20 | 0.56 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.56 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.54 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.52 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.52 |
| ▸ | MAOA | P21397 | 1/20 | 0.52 |
| ▸ | HTR2C | P28335 | 1/20 | 0.52 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.52 |
| ▸ | HTR3A | P46098 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.51 |
| ▸ | POLB | P06746 | 3/20 | 0.51 |
| ▸ | TSHR | P16473 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL2133553 | 1.00 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CYP2D6SCN1ASCN2A | |
| SCHEMBL29649166 | 0.94 | CYP1A2 (0.51) | ALDH1A1CYP1A2CYP2D6SCN1ASCN2A | |
| SCHEMBL11109738 | 0.90 | ALDH1A1 (0.68) | ALDH1A1CYP1A2CYP2D6SCN1ASCN2A | |
| SCHEMBL12774710 | 0.88 | ALDH1A1 (0.69) | ALDH1A1CYP1A2HSD17B10KDM4EPOLB | |
| SCHEMBL6362627 | 0.88 | ALDH1A1 (0.69) | ALDH1A1CYP1A2HSD17B10KDM4EPOLB | |
| SCHEMBL6362319 | 0.88 | ALDH1A1 (0.69) | ALDH1A1CYP1A2HSD17B10KDM4EPOLB | |
| SCHEMBL13124103 | 0.88 | ALDH1A1 (0.69) | ALDH1A1CYP1A2HSD17B10KDM4EPOLB | |
| SCHEMBL29204388 | 0.87 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CYP2D6SCN1ASCN2A | |
| SCHEMBL29375324 | 0.86 | ALDH1A1 (0.64) | ALDH1A1CYP1A2CYP2D6SCN1ASCN2A | |
| SCHEMBL2132644 | 0.86 | ALDH1A1 (0.64) | ALDH1A1CYP1A2CYP2D6SCN1ASCN2A |
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-117776942-A | Method for preparing diaminobenzoic acid based on dinitrobenzoic acid | 清源创新实验室 | 2024-03-29 | — | — | CN | disclosed |
| CN-114507149-A | Diamine compound, polymer, alignment agent, alignment film, and liquid crystal display element | 奇美实业股份有限公司 | 2022-05-17 | — | — | CN | disclosed |