Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | HPGD | P15428 | 5/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.40 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.40 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.40 |
| ▸ | CDC25B | P30305 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | GMNN | O75496 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | BLM | P54132 | 2/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | CMKLR1 | Q99788 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL161152 | 0.81 | NR4A2 (0.38) | ALDH1A1NR4A2LMNATDP1CYP1A2 | |
| SCHEMBL29057765 | 0.80 | ALDH1A1 (0.41) | ALDH1A1HPGDMAPTHSP90AA1HTT | |
| Thiobenzoic Acid SCHEMBL161151 | 0.75 | CA12 (0.48) | ALDH1A1NR4A2LMNATDP1CYP1A2 | |
| Thiobenzoic Acid SCHEMBL2354925 | 0.75 | NR4A2 (0.40) | ALDH1A1NR4A2LMNATDP1CYP1A2 | |
| Thiobenzoic Acid SCHEMBL28164247 | 0.75 | NR4A2 (0.40) | ALDH1A1NR4A2LMNATDP1CYP1A2 | |
| SCHEMBL2370359 | 0.73 | MEN1 (0.39) | ALDH1A1MAPTHTTKDM4EMEN1 | |
| SCHEMBL1394748 | 0.72 | NR4A1 (0.54) | ALDH1A1HPGDMAPTNR4A1NR4A2 | |
| SCHEMBL29981853 | 0.72 | NR4A1 (0.54) | ALDH1A1HPGDMAPTNR4A1NR4A2 | |
| Diphenylmethane SCHEMBL28288647 | 0.72 | CPA3 (0.46) | ALDH1A1HPGDMAPTKDM4ELMNA | |
| Isopropylbenzene SCHEMBL29204502 | 0.72 | GAA (0.47) | ALDH1A1HPGDMAPTNR4A1NR4A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113633625-B | Nano-drug of hybrid membrane loaded oxidative phosphorylation inhibitor and preparation method thereof | 河南大学 | 2022-12-09 | — | — | CN | disclosed |