Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 3/20 | 0.33 |
| ▸ | RXRB | P28702 | 3/20 | 0.33 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | RXRG | P48443 | 1/20 | 0.32 |
| ▸ | BTN3A1 | O00481 | 1/20 | 0.32 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.32 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21278248 | 0.84 | BACE1 (0.37) | ALOX5ADRB3HDAC3HDAC1HDAC2 | |
| SCHEMBL6539708 | 0.77 | ADRB3 (0.36) | ALOX5ADRB3BACE1MAOB | |
| SCHEMBL12835896 | 0.76 | BACE1 (0.48) | ALOX5ADRB3HDAC3HDAC1HDAC2 | |
| SCHEMBL18652049 | 0.75 | ADRB1 (0.49) | ADRB3 | |
| SCHEMBL22495317 | 0.72 | NR1H4 (0.46) | RXRARXRBNR4A2PKMNR1H4 | |
| SCHEMBL6539522 | 0.71 | ADRB1 (0.52) | ADRB3BACE1 | |
| SCHEMBL18990347 | 0.69 | NR1H4 (0.45) | RXRARXRBNR4A2PKMNR1H4 | |
| SCHEMBL18990345 | 0.69 | NR1H4 (0.45) | RXRARXRBNR4A2PKMNR1H4 | |
| SCHEMBL20083645 | 0.69 | BACE1 (0.36) | ADRB3HDAC3HDAC1HDAC2NCOR2 | |
| SCHEMBL6538543 | 0.69 | BACE1 (0.43) | ADRB3BACE1 |
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-2632457-B1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME (US) | 2017-03-22 | — | — | EP | disclosed |