Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSR | P00390 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | TTK | P33981 | 1/20 | 0.31 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.31 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 3/20 | 0.31 |
| ▸ | NOS3 | P29474 | 2/20 | 0.31 |
| ▸ | NOS2 | P35228 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL17916301 | 0.85 | GABRA1 (0.39) | ALDH1A1TSHRLMNACYP2C9GABRA1 | |
| SCHEMBL4643735 | 0.81 | ALDH1A1 (0.50) | GSRALDH1A1TSHRLMNAGAA | |
| SCHEMBL9927095 | 0.81 | GSR (0.43) | GSRALDH1A1TSHRLMNAGAA | |
| SCHEMBL21779670 | 0.78 | GABRA1 (0.34) | GABRA1GABRB2NOS1NOS3NOS2 | |
| SCHEMBL18949819 | 0.76 | GABRA1 (0.33) | GABRA1GABRB2NOS1NOS3NOS2 | |
| SCHEMBL19251069 | 0.74 | GABRA1 (0.32) | GABRA1GABRB2NOS1NOS3NOS2 | |
| SCHEMBL16640979 | 0.74 | ALDH1A1 (0.50) | GSRALDH1A1TSHRHRH3GABRA1 | |
| SCHEMBL2174853 | 0.74 | ALDH1A1 (0.52) | GSRALDH1A1TSHRLMNAGAA | |
| SCHEMBL2528801 | 0.73 | ALDH1A1 (0.55) | GSRALDH1A1TSHRLMNAGAA | |
| SCHEMBL1312347 | 0.73 | GABRA1 (0.46) | ALDH1A1TSHRLMNACYP2C9GABRA1 |
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 |