Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.43 |
| ▸ | ALDH1A3 | P47895 | 6/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | ALDH3A1 | P30838 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | FDPS | P14324 | 1/20 | 0.37 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL98097 | 0.87 | CYP2A6 (0.52) | ALDH1A1ALDH1A3CYP2A6TSHRKDM4E | |
| SCHEMBL29350085 | 0.87 | CYP2A6 (0.52) | ALDH1A1ALDH1A3CYP2A6TSHRKDM4E | |
| Alcohol SCHEMBL28361987 | 0.86 | ALDH1A1 (0.44) | ALDH1A1ALDH1A3CYP2A6ALDH3A1TSHR | |
| SCHEMBL1609646 | 0.84 | CNR1 (0.37) | ALDH1A1TSHRKDM4EPTGS2RAB9A | |
| Hydrazine SCHEMBL27345905 | 0.83 | ALDH1A1 (0.48) | ALDH1A1ALDH1A3CYP2A6TSHRKDM4E | |
| SCHEMBL1610718 | 0.82 | CNR1 (0.36) | TSHRPTGS2TUBB1 | |
| SCHEMBL1611000 | 0.82 | CNR1 (0.36) | TSHRPTGS2TUBB1 | |
| SCHEMBL1610157 | 0.82 | TUBB1 (0.37) | ALDH1A1KDM4EPTGS2RAB9ATUBB1 | |
| O-Xylene SCHEMBL7770810 | 0.81 | ALDH1A1 (0.48) | ALDH1A1ALDH1A3CYP2A6TSHRKDM4E | |
| SCHEMBL9226581 | 0.79 | ALDH1A3 (0.38) | ALDH1A1ALDH1A3CYP2A6ALDH3A1TSHR |
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-110742070-A | Application of 3, 4-dimethylbenzaldehyde | 西南林业大学 | 2020-02-04 | — | — | CN | disclosed |