Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCL2 | P10415 | 3/20 | 0.54 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.51 |
| ▸ | RXRA | P19793 | 4/20 | 0.48 |
| ▸ | RXRB | P28702 | 4/20 | 0.48 |
| ▸ | MRGPRX4 | Q96LA9 | 3/20 | 0.47 |
| ▸ | CTSB | P07858 | 1/20 | 0.47 |
| ▸ | CTSS | P25774 | 1/20 | 0.47 |
| ▸ | CTSK | P43235 | 1/20 | 0.47 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.42 |
| ▸ | GPR183 | P32249 | 1/20 | 0.42 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.42 |
| ▸ | RXRG | P48443 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4399149 | 0.87 | MRGPRX4 (0.50) | MRGPRX4NR1H4 | |
| SCHEMBL5549803 | 0.83 | HDAC1 (0.60) | BCL2AOC3RXRARXRBCTSB | |
| SCHEMBL32665365 | 0.79 | NQO2 (0.44) | — | |
| SCHEMBL716007 | 0.79 | NPC1 (0.56) | CTSBCTSSCTSK | |
| SCHEMBL4391966 | 0.79 | LOXL2 (0.58) | MRGPRX4 | |
| SCHEMBL19639269 | 0.78 | CTSS (0.47) | AOC3CTSBCTSSCTSKNR4A2 | |
| SCHEMBL11892918 | 0.78 | HDAC1 (0.53) | BCL2AOC3RXRARXRBCTSB | |
| SCHEMBL19658012 | 0.77 | CTSS (0.46) | AOC3RXRACTSBCTSSCTSK | |
| SCHEMBL17894367 | 0.76 | CTSS (0.41) | RXRARXRBMRGPRX4CTSBCTSS | |
| SCHEMBL17894365 | 0.76 | CTSS (0.41) | RXRARXRBMRGPRX4CTSBCTSS |
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-2665744-B1 | MACROCYCLIC COMPOUNDS WITH A HYBRID PEPTIDIC/NON-PEPTIDIC BACKBONE AND METHODS FOR THEIR PREPARATION | UNIV ROCHESTER (US) | 2015-04-08 | — | — | EP | disclosed |