Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 3/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.38 |
| ▸ | CETP | P11597 | 3/20 | 0.36 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | RXRB | P28702 | 1/20 | 0.33 |
| ▸ | F2R | P25116 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL16620038 | 1.00 | ADRB1 (0.38) | ADRB1ADRB3CETPNAPRTCHRNB2 | |
| SCHEMBL18017379 | 1.00 | ADRB1 (0.38) | ADRB1ADRB3CETPNAPRTCHRNB2 | |
| SCHEMBL18017375 | 0.91 | RXRA (0.37) | ADRB1ADRB3CETPNAPRTCHRNB2 | |
| SCHEMBL18017374 | 0.91 | RXRA (0.37) | ADRB1ADRB3CETPNAPRTCHRNB2 | |
| SCHEMBL21278412 | 0.91 | GPR119 (0.36) | ADRB1ADRB3CETPCHRNB2CHRNA7 | |
| SCHEMBL18017456 | 0.89 | ADRB1 (0.37) | ADRB1ADRB3CETPNAPRTCHRNB2 | |
| SCHEMBL16629834 | 0.88 | AGTR2 (0.36) | CETPCHRNB2CHRNA7CHRNA4KMT2A | |
| SCHEMBL12088701 | 0.87 | VNN1 (0.35) | CETPHDAC1 | |
| SCHEMBL12079269 | 0.87 | VNN1 (0.35) | CETPHDAC1 | |
| SCHEMBL12079268 | 0.87 | VNN1 (0.35) | CETPHDAC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3052099-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | Merck Sharp & Dohme Corp. (US) | 2016-08-10 | — | — | EP | disclosed |
| WO-2015050798-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2015-04-09 | — | — | WO | disclosed |