Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 5/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | BBOX1 | O75936 | 2/20 | 0.38 |
| ▸ | EHMT2 | Q96KQ7 | 2/20 | 0.38 |
| ▸ | EHMT1 | Q9H9B1 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | ACP3 | P15309 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30050896 | 0.93 | ACHE (0.58) | ACHETSHRLMNAALOX12NPSR1 | |
| SCHEMBL28001804 | 0.93 | ACHE (0.58) | ACHETSHRLMNAALOX12NPSR1 | |
| SCHEMBL29834856 | 0.83 | ACHE (0.41) | ACHETSHRLMNAALOX12NPSR1 | |
| SCHEMBL5887510 | 0.77 | ACHE (0.53) | ACHETSHRLMNAALOX12ALDH1A1 | |
| SCHEMBL8430458 | 0.77 | ACHE (0.58) | ACHETSHRLMNAALOX12NPSR1 | |
| SCHEMBL31464861 | 0.77 | ACHE (0.58) | ACHETSHRLMNAALOX12NPSR1 | |
| SCHEMBL150725 | 0.76 | BBOX1 (0.60) | ACHETSHRLMNAALOX12ALDH1A1 | |
| M-Xylene SCHEMBL8641735 | 0.73 | ACHE (0.80) | ACHETSHRLMNAALOX12NPSR1 | |
| M-Xylene SCHEMBL8135461 | 0.73 | ACHE (0.92) | ACHETSHRLMNAALOX12NPSR1 | |
| Hydrochloric Acid SCHEMBL3629169 | 0.73 | BBOX1 (0.56) | ACHETSHRLMNAALOX12ALDH1A1 |
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-116178232-A | Chiral hydroxy seleno ether and asymmetric synthesis method thereof | 湖北滋兰生物医药科技有限公司 | 2023-05-30 | — | — | CN | disclosed |