Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MLYCD | O95822 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14200331 | 0.84 | TP53 (0.48) | TP53ALDH1A1LMNANPC1RAB9A | |
| SCHEMBL14200334 | 0.84 | TP53 (0.45) | TP53ALDH1A1LMNAPOLBNPC1 | |
| SCHEMBL14229016 | 0.84 | TP53 (0.68) | TP53ALDH1A1CYP3A4LMNATRPM8 | |
| SCHEMBL14200351 | 0.82 | SIGMAR1 (0.44) | TP53ALDH1A1LMNANPC1RAB9A | |
| SCHEMBL14200339 | 0.82 | CYP1A2 (0.48) | TP53ALDH1A1CYP3A4POLBNPC1 | |
| SCHEMBL14200236 | 0.81 | NPC1 (0.60) | TP53ALDH1A1CYP3A4TRPM8NPC1 | |
| SCHEMBL11446155 | 0.80 | ALDH1A1 (0.62) | TP53ALDH1A1CYP3A4LMNATRPM8 | |
| SCHEMBL28038835 | 0.79 | TP53 (0.54) | TP53ALDH1A1CYP3A4LMNATRPM8 | |
| SCHEMBL14200327 | 0.78 | NPC1 (0.46) | TP53ALDH1A1CYP3A4NPC1RAB9A | |
| SCHEMBL30375032 | 0.78 | TP53 (0.59) | TP53ALDH1A1CYP3A4LMNATRPM8 |
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 |