Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNFSF11 | O14788 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | NQO1 | P15559 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | JUN | P05412 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL16742632 | 0.80 | HTT (0.38) | TNFSF11ALDH1A1F2GLAHPGD | |
| SCHEMBL10304905 | 0.79 | KMT2A (0.52) | ALDH1A1KMT2ASMN1; SMN2KDM4E | |
| SCHEMBL5494945 | 0.79 | HTT (0.37) | TNFSF11ALDH1A1F2GLAHPGD | |
| SCHEMBL5501359 | 0.77 | KDM4E (0.41) | ALDH1A1GLAHPGDTSHRKMT2A | |
| SCHEMBL4046039 | 0.77 | LMNA (0.42) | TNFSF11ALDH1A1F2GLAHPGD | |
| SCHEMBL907751 | 0.74 | TNFSF11 (0.41) | TNFSF11ALDH1A1F2GLAHPGD | |
| SCHEMBL20116948 | 0.73 | KMT2A (0.39) | ALDH1A1HPGDTSHRKMT2ASMN1; SMN2 | |
| SCHEMBL20855865 | 0.71 | HCRTR1 (0.42) | ALDH1A1GLAHPGDTSHRKMT2A | |
| SCHEMBL20524652 | 0.71 | TDP1 (0.51) | ALDH1A1HPGDKMT2AHTTSMN1; SMN2 | |
| SCHEMBL9814546 | 0.70 | TNFSF11 (0.53) | TNFSF11ALDH1A1F2GLAHPGD |
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 3 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 |
| EP-2274296-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | Merck Sharp & Dohme Corp. (US) | 2011-01-19 | — | — | EP | disclosed |