Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 1/20 | 0.60 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | XDH | P47989 | 2/20 | 0.48 |
| ▸ | CDK4 | P11802 | 2/20 | 0.42 |
| ▸ | CCND1 | P24385 | 2/20 | 0.42 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.42 |
| ▸ | CDK1 | P06493 | 1/20 | 0.42 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.42 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 5/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | GABBR2 | O75899 | 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 | |
|---|---|---|---|---|
| SCHEMBL7751067 | 1.00 | ALDH1A1 (0.60) | ALDH1A1KDM4EMAPTTRPA1LMNA | |
| SCHEMBL1310214 | 0.87 | ALDH1A1 (0.75) | ALDH1A1KDM4EMAPTTRPA1LMNA | |
| SCHEMBL1310216 | 0.87 | ALDH1A1 (0.75) | ALDH1A1KDM4EMAPTTRPA1LMNA | |
| SCHEMBL26704218 | 0.85 | ALDH1A1 (0.60) | ALDH1A1KDM4EMAPTTRPA1LMNA | |
| Cinnamaldehyde SCHEMBL25418563 | 0.83 | ALDH1A1 (0.62) | ALDH1A1KDM4EMAPTTRPA1LMNA | |
| SCHEMBL1308775 | 0.79 | ALDH1A1 (0.65) | ALDH1A1KDM4EMAPTTRPA1LMNA | |
| SCHEMBL4445282 | 0.79 | ALDH1A1 (0.61) | ALDH1A1KDM4EMAPTTRPA1LMNA | |
| SCHEMBL1308773 | 0.79 | ALDH1A1 (0.65) | ALDH1A1KDM4EMAPTTRPA1LMNA | |
| SCHEMBL3113833 | 0.78 | ALDH1A1 (0.79) | ALDH1A1KDM4EMAPTLMNATSHR | |
| SCHEMBL3113837 | 0.78 | ALDH1A1 (0.79) | ALDH1A1KDM4EMAPTLMNATSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001042259-A1 | 1,6,6-TRIAZACYCLOHEXANE COORDINATION COMPOUNDS FOR THE PREPARATION OF METAL CONTAINING POLYMERS | BRITISH NUCLEAR FUELS PLC (GB) | 2001-06-14 | — | — | WO | disclosed |