Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.36 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 7/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 3/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.33 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.33 |
| ▸ | IKBKB | O14920 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14200452 | 0.90 | SIGMAR1 (0.37) | HDAC1HDAC6L3MBTL1 | |
| SCHEMBL14200454 | 0.90 | MTNR1B (0.35) | MTNR1BPDK1PDK2PDK3PDK4 | |
| SCHEMBL14200453 | 0.90 | MTNR1B (0.35) | MTNR1BPDK1PDK2PDK3PDK4 | |
| SCHEMBL14200451 | 0.87 | PRKCA (0.36) | MTNR1BPDK1PDK2PDK3PDK4 | |
| SCHEMBL14200468 | 0.85 | MTNR1B (0.34) | MTNR1BPDK1PDK2PDK3PDK4 | |
| SCHEMBL14200465 | 0.83 | HPGD (0.44) | HDAC6KMT2A | |
| SCHEMBL14229146 | 0.83 | TP53 (0.42) | MTNR1BS1PR1OPRM1OPRD1OPRK1 | |
| SCHEMBL14200440 | 0.82 | ALDH1A1 (0.44) | RIPK1OPRK1 | |
| SCHEMBL14200818 | 0.82 | RIPK1 (0.42) | MTNR1BRIPK1KMT2AL3MBTL1 | |
| SCHEMBL14200470 | 0.82 | REN (0.36) | MTNR1BPDK1PDK2PDK3PDK4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7365093-B2 | Endothelin antagonists | ABBOTT LABORATORIES (US) | 2008-04-29 | — | — | US | disclosed |
| US-7365093-B2 | Endothelin antagonists | ABBOTT LABORATORIES (US) | 2008-04-29 | — | — | US | disclosed |
| US-7208517-B1 | Endothelin antagonists | ABBOTT LABORTORIES (US) | 2007-04-24 | — | — | US | disclosed |
| US-7208517-B1 | Endothelin antagonists | ABBOTT LABORTORIES (US) | 2007-04-24 | — | — | US | disclosed |