Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3148910 | 0.82 | HCAR2 (0.53) | HCAR2POLBKDM4ETDP1ALDH1A1 | |
| SCHEMBL16619955 | 0.79 | HCAR2 (0.43) | HCAR2POLBKDM4ETDP1ALDH1A1 | |
| SCHEMBL12092553 | 0.77 | HCAR2 (0.46) | HCAR2POLBKDM4EALDH1A1KMT2A | |
| SCHEMBL16619865 | 0.75 | HCAR2 (0.47) | HCAR2POLBKDM4ETDP1ALDH1A1 | |
| SCHEMBL16215884 | 0.73 | HCAR2 (0.42) | HCAR2POLBKDM4EALDH1A1KMT2A | |
| SCHEMBL16620087 | 0.72 | HCAR2 (0.41) | HCAR2POLBKDM4EHSD17B10PKM | |
| SCHEMBL19045238 | 0.72 | — | — | |
| SCHEMBL12089194 | 0.72 | HCAR2 (0.41) | HCAR2POLBKMT2A | |
| SCHEMBL9481851 | 0.71 | HCAR2 (0.49) | HCAR2 | |
| SCHEMBL31284154 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9486448-B2 | Pyrrolidine derived beta 3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2016-11-08 | — | — | US | disclosed |
| WO-2015050798-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2015-04-09 | — | — | WO | disclosed |