Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 2/20 | 0.33 |
| ▸ | NOS1 | P29475 | 2/20 | 0.33 |
| ▸ | NOS2 | P35228 | 2/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | XDH | P47989 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | FBP1 | P09467 | 1/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 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 | |
|---|---|---|---|---|
| SCHEMBL17916301 | 0.91 | GABRA1 (0.39) | GABRA1GABRB2NOS3NOS1NOS2 | |
| SCHEMBL28260120 | 0.89 | GABRA1 (0.40) | GABRA1GABRB2EPHX1OPRM1MAPT | |
| SCHEMBL19251069 | 0.83 | GABRA1 (0.32) | GABRA1GABRB2NOS3NOS1NOS2 | |
| SCHEMBL397098 | 0.83 | NOS3 (0.41) | NOS3NOS1NOS2MAPTKDM4E | |
| SCHEMBL18949819 | 0.81 | GABRA1 (0.33) | GABRA1GABRB2NOS3NOS1NOS2 | |
| Nitrogen SCHEMBL28571594 | 0.79 | NOS3 (0.38) | NOS3NOS1NOS2MAPTKDM4E | |
| SCHEMBL24926425 | 0.78 | GABRA1 (0.34) | GABRA1GABRB2EPHX1OPRM1MAPT | |
| SCHEMBL22861018 | 0.78 | PNMT (0.38) | GABRA1GABRB2OPRM1 | |
| SCHEMBL5164582 | 0.78 | GABRA1 (0.42) | GABRA1GABRB2OPRM1MAPTPTGS2 | |
| SCHEMBL16954137 | 0.78 | GABRA1 (0.34) | GABRA1GABRB2OPRM1MAPTPTGS2 |
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-3245213-B1 | BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING | BRISTOL MYERS SQUIBB CO (US) | 2020-03-04 | — | — | EP | disclosed |