Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | EP300 | Q09472 | 1/20 | 0.41 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.41 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 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 | |
|---|---|---|---|---|
| SCHEMBL3786708 | 0.83 | GAA (0.52) | TSHRGAAMAPTKDM4EMCL1 | |
| SCHEMBL3841879 | 0.79 | CYP3A4 (0.48) | TSHRGAAMAPTEP300KAT2B | |
| SCHEMBL19786 | 0.76 | MAPT (0.46) | TSHRGAAMAPTKDM4EMCL1 | |
| SCHEMBL5494774 | 0.76 | ALDH1A1 (0.52) | TSHRGAAMAPTKDM4EMCL1 | |
| SCHEMBL30022761 | 0.76 | ALDH1A1 (0.52) | TSHRGAAMAPTKDM4EMCL1 | |
| SCHEMBL134637 | 0.75 | EP300 (0.52) | TSHRGAAMAPTKDM4EMCL1 | |
| SCHEMBL31276399 | 0.75 | EP300 (0.52) | TSHRGAAMAPTKDM4EMCL1 | |
| SCHEMBL5395552 | 0.74 | MAPT (0.44) | TSHRGAAMAPTKDM4EMCL1 | |
| SCHEMBL673431 | 0.74 | TRPA1 (0.52) | TSHRGAAMAPTKDM4EMCL1 | |
| SCHEMBL1955056 | 0.74 | MAPT (0.44) | TSHRGAAMAPTKDM4EMCL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106831614-B | Substituted benzodiazacyclo compound and its preparation method and use | 清华大学 | 2020-07-28 | — | — | CN | disclosed |
| CN-106831614-A | Substituted benzodiazepine * heterocycle compound and its production and use | 清华大学 | 2017-06-13 | — | — | CN | disclosed |
| WO-2014118093-A2 | DYE COMPOSITION COMPRISING AT LEAST ONE PARTICULAR LIPOPHILIC META-AMINOPHENOL COUPLER IN A MEDIUM RICH IN FATTY SUBSTANCES, PROCESSES AND DEVICES | L'OREAL (FR) | 2014-08-07 | — | — | WO | disclosed |