Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | TYR | P14679 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.35 |
| ▸ | AMPD2 | Q01433 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL25939122 | 0.94 | ALDH1A1 (0.44) | ALDH1A1KMT2APOLBLMNAKCNH2 | |
| SCHEMBL5276026 | 0.87 | — | — | |
| SCHEMBL29031197 | 0.78 | ALDH1A1 (0.40) | ALDH1A1KMT2APOLBLMNATSHR | |
| SCHEMBL5283248 | 0.78 | ALDH1A1 (0.40) | ALDH1A1KMT2APOLBLMNATSHR | |
| SCHEMBL8171873 | 0.78 | ALDH1A1 (0.40) | ALDH1A1KMT2APOLBLMNATSHR | |
| SCHEMBL5278999 | 0.76 | ALDH1A1 (0.39) | ALDH1A1KMT2APOLBLMNATSHR | |
| SCHEMBL5274280 | 0.76 | ALDH1A1 (0.39) | ALDH1A1KMT2APOLBLMNATSHR | |
| SCHEMBL5283796 | 0.75 | ALDH1A1 (0.38) | ALDH1A1KMT2APOLBLMNATSHR | |
| SCHEMBL5657308 | 0.75 | AMPD2 (0.38) | ALDH1A1KMT2APOLBLMNATSHR | |
| SCHEMBL5326234 | 0.75 | ALDH1A1 (0.38) | ALDH1A1KMT2APOLBLMNATSHR |
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-B9 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME (US) | 2012-08-15 | — | — | EP | disclosed |
| EP-1859781-A2 | Brightening and/or colouring agent with triazoles | Henkel Kommanditgesellschaft auf Aktien (DE) | 2007-11-28 | — | — | EP | disclosed |