Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 2/20 | 0.36 |
| ▸ | NOS2 | P35228 | 2/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | PGK1 | P00558 | 1/20 | 0.32 |
| ▸ | PGK2 | P07205 | 1/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1129372 | 0.94 | KCNH2 (0.39) | GABRA1GABRB2NOS1NOS2KCNH2 | |
| SCHEMBL3625374 | 0.89 | GABRA1 (0.44) | GABRA1GABRB2NOS1NOS2NOS3 | |
| SCHEMBL20206847 | 0.83 | GABRA1 (0.38) | GABRA1GABRB2NOS1NOS2NOS3 | |
| SCHEMBL12641681 | 0.81 | KCNH2 (0.41) | GABRA1GABRB2NOS1NOS2NOS3 | |
| SCHEMBL22008292 | 0.79 | GABRA1 (0.42) | GABRA1GABRB2NOS1NOS2NOS3 | |
| SCHEMBL23140220 | 0.78 | KCNH2 (0.42) | GABRA1GABRB2NOS1NOS2NOS3 | |
| SCHEMBL18924306 | 0.78 | KCNH2 (0.52) | GABRA1GABRB2NOS1NOS2NOS3 | |
| SCHEMBL2614966 | 0.77 | KDM4E (0.46) | GABRA1GABRB2NOS1NOS2NOS3 | |
| SCHEMBL21279998 | 0.76 | GABRA1 (0.35) | GABRA1GABRB2NOS1NOS2NOS3 | |
| SCHEMBL21100036 | 0.76 | GABRA1 (0.35) | GABRA1GABRB2NOS1NOS2NOS3 |
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-9822112-B2 | Heteroarylene-bridged benzodiazepine dimers, conjugates thereof, and methods of making and using | BRISTOL-MEYERS SQUIBB COMPANY (US) | 2017-11-21 | — | — | US | disclosed |