Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP4B1 | P13584 | 2/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.44 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.44 |
| ▸ | CYP2A7 | P20853 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL19556689 | 0.78 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2CYP3A4CYP1A1CYP1A2 | |
| SCHEMBL28032827 | 0.75 | ALDH1A1 (0.49) | ALDH1A1MAPTKDM4ESMN1; SMN2CYP3A4 | |
| SCHEMBL27902994 | 0.75 | ALDH1A1 (0.49) | ALDH1A1MAPTKDM4ESMN1; SMN2CYP3A4 | |
| SCHEMBL27845746 | 0.73 | PIN1 (0.46) | ALDH1A1MAPTKDM4ESMN1; SMN2HPGD | |
| SCHEMBL835688 | 0.72 | KDM4E (0.64) | ALDH1A1MAPTKDM4ESMN1; SMN2CYP3A4 | |
| SCHEMBL29572032 | 0.72 | KDM4E (0.64) | ALDH1A1MAPTKDM4ESMN1; SMN2CYP3A4 | |
| SCHEMBL5632975 | 0.72 | CYP1A1 (0.79) | ALDH1A1MAPTKDM4ESMN1; SMN2CYP3A4 | |
| SCHEMBL17924581 | 0.71 | SMN1; SMN2 (0.54) | ALDH1A1MAPTKDM4ESMN1; SMN2CYP3A4 | |
| SCHEMBL12341703 | 0.71 | SQOR (0.55) | ALDH1A1MAPTKDM4ESMN1; SMN2CYP3A4 | |
| SCHEMBL4232632 | 0.71 | BACE1 (0.39) | ALDH1A1MAPTKDM4ESMN1; SMN2THRB |
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-115490607-A | C 2 Synthesis method of-symmetrical chiral aryl iodide catalyst | 南通大学 | 2022-12-20 | — | — | CN | disclosed |