Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 13/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA7 | P43166 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL215798 | 0.78 | OPRK1 (0.47) | OPRK1TSHRKDM4EALDH1A1GLA | |
| SCHEMBL8091281 | 0.78 | OPRK1 (0.47) | OPRK1TSHRKDM4EALDH1A1GLA | |
| SCHEMBL1505507 | 0.77 | OPRK1 (0.46) | OPRK1TSHRKDM4EALDH1A1GLA | |
| SCHEMBL2420694 | 0.77 | OPRK1 (0.46) | OPRK1TSHRKDM4EALDH1A1GLA | |
| SCHEMBL6775808 | 0.76 | OPRK1 (0.43) | OPRK1KDM4EALDH1A1GLAGAA | |
| SCHEMBL2436219 | 0.75 | OPRK1 (0.45) | OPRK1TSHRKDM4EALDH1A1GLA | |
| SCHEMBL8274376 | 0.75 | KDM4E (0.49) | KDM4EALDH1A1GAA | |
| SCHEMBL6713858 | 0.72 | DPP4 (0.45) | TSHRALDH1A1CA12CA1CA2 | |
| SCHEMBL20184058 | 0.69 | OPRK1 (0.48) | OPRK1 | |
| SCHEMBL21171175 | 0.69 | OPRK1 (0.74) | OPRK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8349872-B2 | Tripyridyl carboxamide orexin receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2013-01-08 | — | — | US | disclosed |