Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 10/20 | 0.34 |
| ▸ | CNR1 | P21554 | 7/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL22752529 | 0.93 | CNR2 (0.42) | CNR2CNR1 | |
| SCHEMBL19252589 | 0.89 | KDM4E (0.31) | KDM4EALDH1A1MAPTHPGDNPSR1 | |
| SCHEMBL19251007 | 0.81 | MAPT (0.32) | KDM4EALDH1A1MAPTHPGDNPSR1 | |
| SCHEMBL21789887 | 0.79 | CNR2 (0.40) | CNR2CNR1ESR1ESR2 | |
| SCHEMBL22752534 | 0.79 | KDM4E (0.34) | KDM4EALDH1A1MAPTHPGDNPSR1 | |
| SCHEMBL24486521 | 0.78 | CNR2 (0.36) | CNR2CNR1ESR1ESR2 | |
| SCHEMBL19251327 | 0.78 | CNR2 (0.37) | CNR2CNR1ESR1ESR2 | |
| SCHEMBL22752351 | 0.77 | KDM4E (0.33) | KDM4EALDH1A1MAPTHPGDNPSR1 | |
| SCHEMBL22752559 | 0.75 | CNR2 (0.40) | CNR2CNR1ESR1ESR2 | |
| SCHEMBL19251181 | 0.75 | CNR2 (0.39) | CNR2CNR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9732083-B2 | Tricyclic gyrase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-08-15 | — | — | US | disclosed |