Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | TLR4 | O00206 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | FASN | P49327 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21452830 | 0.90 | ATM (0.50) | ATMALDH1A1KDM4ETLR4MTNR1A | |
| SCHEMBL13866437 | 0.90 | ATM (0.50) | ATMALDH1A1KDM4ETLR4MTNR1A | |
| SCHEMBL26288090 | 0.85 | ATM (0.50) | ATMALDH1A1KDM4ETLR4MTNR1A | |
| SCHEMBL15731518 | 0.85 | ATM (0.50) | ATMALDH1A1KDM4ETLR4MTNR1A | |
| SCHEMBL26512382 | 0.85 | ATM (0.50) | ATMALDH1A1KDM4ETLR4MTNR1A | |
| SCHEMBL14820161 | 0.85 | ATM (0.50) | ATMALDH1A1KDM4ETLR4MTNR1A | |
| SCHEMBL18078660 | 0.85 | ATM (0.50) | ATMALDH1A1KDM4ETLR4MTNR1A | |
| SCHEMBL18078661 | 0.85 | ATM (0.50) | ATMALDH1A1KDM4ETLR4MTNR1A | |
| SCHEMBL25676406 | 0.83 | — | — | |
| SCHEMBL13283598 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3331865-B1 | SYNTHESIS OF BENZODIAZEPINE DERIVATIVES | TRIO MEDICINES LTD (GB) | 2021-05-12 | — | — | EP | disclosed |