Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL16619756 | 0.87 | LMNA (0.40) | LMNAKMT2ANPC1RAB9ACA12 | |
| SCHEMBL5034528 | 0.79 | KMT2A (0.53) | KMT2ANPC1RAB9ACA12CA9 | |
| SCHEMBL16619456 | 0.79 | POLB (0.44) | LMNAKMT2ANPC1RAB9ACA12 | |
| SCHEMBL13337772 | 0.76 | TDP1 (0.42) | ALDH1A1 | |
| SCHEMBL16619125 | 0.76 | LMNA (0.38) | LMNAKMT2ANPC1RAB9ACA12 | |
| SCHEMBL16619332 | 0.75 | NSD2 (0.42) | LMNAKMT2ANPC1RAB9ACA12 | |
| SCHEMBL16619602 | 0.75 | LMNA (0.43) | LMNAKMT2ANPC1RAB9ACA12 | |
| SCHEMBL5890987 | 0.70 | LMNA (0.69) | LMNAKMT2ANPC1RAB9ACA12 | |
| SCHEMBL19210473 | 0.70 | MMP13 (0.53) | LMNAKMT2ANPC1RAB9ACA12 | |
| SCHEMBL7662648 | 0.68 | HSD17B10 (0.41) | — |
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 |