Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | IL6ST | P40189 | 1/20 | 0.39 |
| ▸ | IDH1 | O75874 | 9/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.37 |
| ▸ | NAAA | Q02083 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16796721 | 0.85 | ALDH1A1 (0.44) | ALDH1A1GAAHTTIL6STIDH1 | |
| SCHEMBL16796724 | 0.85 | ALDH1A1 (0.44) | ALDH1A1GAAHTTIL6STIDH1 | |
| SCHEMBL21930233 | 0.84 | ALDH1A1 (0.39) | ALDH1A1GAAHTTIL6STIDH1 | |
| SCHEMBL21930237 | 0.84 | ALDH1A1 (0.39) | ALDH1A1GAAHTTIL6STIDH1 | |
| SCHEMBL21930236 | 0.84 | ALDH1A1 (0.39) | ALDH1A1GAAHTTIL6STIDH1 | |
| SCHEMBL21930584 | 0.84 | IL6ST (0.45) | ALDH1A1GAAHTTIL6STIDH1 | |
| SCHEMBL21930588 | 0.84 | IL6ST (0.45) | ALDH1A1GAAHTTIL6STIDH1 | |
| SCHEMBL21930586 | 0.84 | IL6ST (0.45) | ALDH1A1GAAHTTIL6STIDH1 | |
| SCHEMBL21930715 | 0.83 | ALDH1A1 (0.39) | ALDH1A1GAAHTTIL6STIDH1 | |
| SCHEMBL21930717 | 0.83 | ALDH1A1 (0.39) | ALDH1A1GAAHTTIL6STIDH1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2595483-B1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME (US) | 2017-03-22 | — | — | EP | disclosed |