Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK1 | Q13546 | 4/20 | 0.35 |
| ▸ | PTPRZ1 | P23471 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | KMO | O15229 | 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 | |
|---|---|---|---|---|
| SCHEMBL758549 | 0.75 | TP53 (0.37) | ALDH1A1MAPT | |
| SCHEMBL5716664 | 0.73 | OXTR (0.35) | RIPK1PTPRZ1ALDH1A1GAA | |
| SCHEMBL11127281 | 0.72 | NFE2L2 (0.32) | ALDH1A1 | |
| SCHEMBL31206017 | 0.70 | CA12 (0.41) | ALDH1A1GAA | |
| SCHEMBL9626188 | 0.69 | HTR6 (0.45) | ALDH1A1CYP3A4TSHRGAAMAPT | |
| SCHEMBL29239935 | 0.68 | — | — | |
| SCHEMBL9626472 | 0.67 | LMNA (0.43) | TSHRPOLBMAPT | |
| SCHEMBL6260482 | 0.67 | ALDH1A1 (0.44) | ALDH1A1MAPT | |
| SCHEMBL29757680 | 0.66 | MALT1 (0.46) | CYP3A4 | |
| SCHEMBL19063 | 0.66 | MALT1 (0.46) | CYP3A4 |
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-2571876-A1 | SUBSTITUTED SEVEN-MEMBERED HETEROCYCLIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES | Merck Sharp & Dohme Corp. (US) | 2013-03-27 | — | — | EP | disclosed |
| WO-2011146358-A1 | SUBSTITUTED SEVEN-MEMBERED HETEROCYCLIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES | MERCK SHARP & DOHME CORP. (US) | 2011-11-24 | — | — | WO | disclosed |