Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | MDM2 | Q00987 | 3/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | NPY2R | P49146 | 1/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17986590 | 1.00 | TP53 (0.43) | TP53POLBALDH1A1TRPV1MEN1 | |
| SCHEMBL17986588 | 1.00 | TP53 (0.43) | TP53POLBALDH1A1TRPV1MEN1 | |
| SCHEMBL16619243 | 0.90 | ADRB3 (0.40) | ADRB3 | |
| SCHEMBL16619242 | 0.90 | ADRB3 (0.40) | ADRB3 | |
| SCHEMBL17986554 | 0.87 | STS (0.36) | TP53POLBALDH1A1SMN1; SMN2ADRB3 | |
| SCHEMBL21268160 | 0.87 | STS (0.36) | TP53POLBALDH1A1SMN1; SMN2ADRB3 | |
| SCHEMBL16619599 | 0.87 | STS (0.36) | TP53POLBALDH1A1SMN1; SMN2ADRB3 | |
| SCHEMBL21268162 | 0.87 | STS (0.36) | TP53POLBALDH1A1SMN1; SMN2ADRB3 | |
| SCHEMBL16619997 | 0.87 | STS (0.36) | TP53POLBLMNASMN1; SMN2 | |
| SCHEMBL17986570 | 0.87 | STS (0.36) | TP53POLBLMNASMN1; SMN2 |
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 |