Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TOP1 | P11387 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | HPGD | P15428 | 4/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 4/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.45 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1357023 | 0.83 | CYP2A6 (0.67) | ALDH1A1HPGDHSD17B10KDM4ERAB9A | |
| SCHEMBL26737564 | 0.77 | CYP2C9 (0.51) | TOP1ALDH1A1HPGDHSD17B10SMN1; SMN2 | |
| SCHEMBL521943 | 0.75 | ALDH1A1 (0.62) | TOP1ALDH1A1HPGDHSD17B10SMN1; SMN2 | |
| SCHEMBL12608100 | 0.75 | CYP2E1 (0.56) | ALDH1A1HPGDHSD17B10KDM4ERAB9A | |
| SCHEMBL7423578 | 0.71 | CYP3A4 (0.56) | ALDH1A1HPGDHSD17B10KDM4ERAB9A | |
| SCHEMBL4135586 | 0.71 | CYP2C9 (0.56) | ALDH1A1HPGDHSD17B10SMN1; SMN2KDM4E | |
| SCHEMBL30613331 | 0.71 | CYP2A6 (0.56) | ALDH1A1HPGDHSD17B10SMN1; SMN2KDM4E | |
| SCHEMBL26387047 | 0.71 | CYP2E1 (0.56) | ALDH1A1HPGDHSD17B10KDM4ERAB9A | |
| SCHEMBL12608111 | 0.71 | CYP2A6 (0.56) | ALDH1A1HPGDHSD17B10SMN1; SMN2KDM4E | |
| SCHEMBL4135591 | 0.71 | CYP2A6 (0.56) | ALDH1A1HPGDHSD17B10SMN1; SMN2KDM4E |
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-117603131-A | Method for introducing thiophenyl group in meta position of nitrogen of pyridine ring and thiophenyl group-containing pyridine compound | 四川大学 | 2024-02-27 | — | — | CN | disclosed |