Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | MLYCD | O95822 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | FDFT1 | P37268 | 2/20 | 0.31 |
| ▸ | PPARG | P37231 | 2/20 | 0.31 |
| ▸ | PPARD | Q03181 | 2/20 | 0.31 |
| ▸ | PPARA | Q07869 | 2/20 | 0.31 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.31 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.31 |
| ▸ | GPX4 | P36969 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL14201030 | 0.92 | LMNA (0.33) | ALDH1A1TP53MLYCDFDFT1 | |
| SCHEMBL14229898 | 0.86 | TP53 (0.40) | ALDH1A1TP53MLYCDNPC1RAB9A | |
| SCHEMBL14201042 | 0.80 | TSHR (0.31) | FDFT1TSHR | |
| SCHEMBL14200334 | 0.79 | TP53 (0.45) | ALDH1A1TP53MLYCDNPC1RAB9A | |
| SCHEMBL14200979 | 0.79 | NPC1 (0.41) | ALDH1A1TP53MLYCDNPC1RAB9A | |
| SCHEMBL14200872 | 0.78 | MLYCD (0.33) | MLYCD | |
| SCHEMBL14229418 | 0.78 | TP53 (0.42) | ALDH1A1TP53MLYCDS1PR1FDFT1 | |
| SCHEMBL14200533 | 0.78 | ALDH1A1 (0.43) | ALDH1A1TP53MLYCDNPC1RAB9A | |
| SCHEMBL14201113 | 0.77 | RIPK1 (0.32) | FDFT1 | |
| SCHEMBL14201019 | 0.77 | ALDH1A1 (0.38) | ALDH1A1TP53NPC1RAB9APAX8 |
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 |