Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.35 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29249746 | 0.75 | — | — | |
| SCHEMBL28547612 | 0.73 | LMNA (0.30) | LMNA | |
| SCHEMBL29249732 | 0.72 | — | — | |
| SCHEMBL7032435 | 0.64 | KIF11 (0.39) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP11B1 | |
| SCHEMBL9703016 | 0.64 | CYP2A6 (0.38) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP11B1 | |
| SCHEMBL29249731 | 0.64 | ALDH1A1 (0.38) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP11B2 | |
| SCHEMBL154139 | 0.64 | — | — | |
| SCHEMBL302926 | 0.64 | — | — | |
| SCHEMBL9368994 | 0.64 | — | — | |
| SCHEMBL213871 | 0.63 | — | — |
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-117836995-A | Nonaqueous electrolyte and nonaqueous electrolyte secondary battery | 信越化学工业株式会社 | 2024-04-05 | — | — | CN | disclosed |