Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK1 | Q13546 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MITF | O75030 | 1/20 | 0.36 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | BMP1 | P13497 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL14229234 | 0.92 | RIPK1 (0.43) | RIPK1HTTALDH1A1KDM4EMITF | |
| SCHEMBL14229072 | 0.90 | RIPK1 (0.46) | RIPK1HTTALDH1A1KDM4EMITF | |
| SCHEMBL14229894 | 0.88 | RIPK1 (0.44) | RIPK1HTTALDH1A1KDM4EMITF | |
| SCHEMBL14200864 | 0.86 | RIPK1 (0.48) | RIPK1HTTALDH1A1KDM4EMITF | |
| SCHEMBL14229066 | 0.84 | RIPK1 (0.45) | RIPK1HTTALDH1A1KDM4EMITF | |
| SCHEMBL14229924 | 0.83 | TAS1R3 (0.39) | ALDH1A1KDM4ELTB4R2MEN1KMT2A | |
| SCHEMBL14228980 | 0.83 | RIPK1 (0.42) | RIPK1HTTALDH1A1KDM4EMITF | |
| SCHEMBL14228961 | 0.81 | PSEN1 (0.44) | ALDH1A1 | |
| SCHEMBL14229395 | 0.79 | LDHA (0.46) | HTTALDH1A1RAB9AMEN1KMT2A | |
| SCHEMBL14200861 | 0.79 | RIPK1 (0.46) | RIPK1HTTALDH1A1KDM4EMITF |
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 |
|---|---|---|---|---|---|---|---|
| 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 |