Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 10/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | IL6ST | P40189 | 1/20 | 0.31 |
| ▸ | SCD5 | Q86SK9 | 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 | |
|---|---|---|---|---|
| SCHEMBL16629772 | 0.92 | IDH1 (0.34) | IDH1ALDH1A1GAAHTTNPC1 | |
| SCHEMBL1199941 | 0.74 | ALDH1A1 (0.39) | IDH1ALDH1A1GAAHTTNPC1 | |
| SCHEMBL1199939 | 0.74 | ALDH1A1 (0.39) | IDH1ALDH1A1GAAHTTNPC1 | |
| SCHEMBL1200578 | 0.74 | ALDH1A1 (0.39) | IDH1ALDH1A1GAAHTTNPC1 | |
| SCHEMBL16619321 | 0.74 | ALDH1A1 (0.39) | IDH1ALDH1A1GAAHTTNPC1 | |
| SCHEMBL16619316 | 0.74 | ALDH1A1 (0.39) | IDH1ALDH1A1GAAHTTNPC1 | |
| SCHEMBL16619318 | 0.74 | ALDH1A1 (0.39) | IDH1ALDH1A1GAAHTTNPC1 | |
| SCHEMBL18017398 | 0.74 | ALDH1A1 (0.33) | IDH1ALDH1A1GAAHTTNPC1 | |
| SCHEMBL16481096 | 0.67 | ALDH1A1 (0.55) | IDH1ALDH1A1GAAHTTNPC1 | |
| SCHEMBL13040580 | 0.67 | ALDH1A1 (0.44) | IDH1ALDH1A1GAAHTTNPC1 |
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 |
| US-9486448-B2 | Pyrrolidine derived beta 3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2016-11-08 | — | — | US | disclosed |