Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2534699 | 0.78 | MAOB (0.46) | CYP1A2CYP2D6CYP2C19HSD17B10TAAR1 | |
| SCHEMBL11380502 | 0.77 | TP53 (0.42) | CYP1A2CYP2D6CYP2C19ALDH1A1HPGD | |
| SCHEMBL21233204 | 0.76 | SIGMAR1 (0.48) | CYP1A2CYP2D6CYP2C19ALDH1A1HPGD | |
| SCHEMBL7774666 | 0.76 | CYP1A2 (0.45) | CYP1A2CYP2D6CYP2C19ALDH1A1HPGD | |
| SCHEMBL8748239 | 0.76 | TSHR (0.50) | CYP1A2CYP2D6CYP2C19ALDH1A1TDP1 | |
| SCHEMBL273440 | 0.72 | ALDH1A1 (0.50) | CYP1A2CYP2D6CYP2C19ALDH1A1HPGD | |
| SCHEMBL4185660 | 0.71 | ALDH1A1 (0.55) | CYP1A2CYP2D6CYP2C19ALDH1A1HPGD | |
| SCHEMBL577806 | 0.71 | CYP1A2 (0.76) | CYP1A2CYP2D6CYP2C19ALDH1A1HPGD | |
| SCHEMBL184329 | 0.70 | GPR52 (0.48) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| Ethane SCHEMBL21049496 | 0.70 | ALDH1A1 (0.61) | ALDH1A1HPGDALOX15ALOX12CASP1 |
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-114247566-B | High-sulfur bauxite desulfurization and desilication flotation collecting agent and integrated flotation method | 中南大学 | 2023-03-21 | — | — | CN | disclosed |
| CN-114247566-A | High-sulfur bauxite desulfurization and desilication flotation collecting agent and integrated flotation method | 中南大学 | 2022-03-29 | — | — | CN | disclosed |
| WO-1998035982-A1 | COMPOUNDS FOR USE IN ADEPT | ZENECA LIMITED (GB) | 1998-08-20 | — | — | WO | disclosed |