Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 7/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 7/20 | 0.33 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | THRA | P10827 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | JAK1 | P23458 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.32 |
| ▸ | AKR1C4 | P17516 | 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 | |
|---|---|---|---|---|
| SCHEMBL896297 | 0.70 | AKR1C3 (0.36) | AKR1C3AKR1C2AKR1C1ALDH1A1PTGS1 | |
| SCHEMBL8720079 | 0.69 | HCAR2 (0.46) | HCAR3AKR1C3AKR1C2AKR1C1PTGS1 | |
| SCHEMBL29868109 | 0.68 | KDM4E (0.48) | POLBTSHRALDH1A1SMN1; SMN2 | |
| SCHEMBL27037937 | 0.67 | HCAR2 (0.46) | TSHRGPR119HCAR2HSD17B10JAK1 | |
| SCHEMBL11480647 | 0.67 | KDM4E (0.43) | PTGS1 | |
| SCHEMBL923891 | 0.67 | AGBL2 (0.47) | POLBALDH1A1GPR119HCAR2SMN1; SMN2 | |
| SCHEMBL1531197 | 0.66 | HCAR2 (0.42) | HCAR3AKR1C3AKR1C2AKR1C1PTGS1 | |
| SCHEMBL689475 | 0.65 | AKR1C3 (0.37) | POLBAKR1C3AKR1C2AKR1C1PTGS1 | |
| SCHEMBL895915 | 0.65 | SMN1; SMN2 (0.41) | ALDH1A1SMN1; SMN2THRB | |
| SCHEMBL11983438 | 0.65 | SMN1; SMN2 (0.37) | POLBAKR1C3AKR1C2AKR1C1ALDH1A1 |
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-2276756-B1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME (US) | 2011-11-30 | — | — | EP | disclosed |
| EP-2276756-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | Merck Sharp & Dohme Corp. (US) | 2011-01-26 | — | — | EP | disclosed |