Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 5/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | MLYCD | O95822 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | ELANE | P08246 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14200334 | 0.84 | TP53 (0.45) | TP53ALDH1A1MAPTMLYCDNPC1 | |
| SCHEMBL14229016 | 0.83 | TP53 (0.68) | TP53ALDH1A1MLYCDNPC1JAK2 | |
| SCHEMBL14229099 | 0.82 | TP53 (0.51) | TP53ALDH1A1MLYCDNPC1JAK2 | |
| SCHEMBL14228987 | 0.81 | TP53 (0.44) | TP53ALDH1A1MLYCDNPC1JAK2 | |
| SCHEMBL14229516 | 0.81 | TP53 (0.50) | TP53ALDH1A1NPC1JAK2RAB9A | |
| SCHEMBL14229107 | 0.79 | CYP1A2 (0.54) | TP53ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3772286 | 0.78 | TP53 (0.83) | TP53ALDH1A1MAPTMLYCDNPC1 | |
| SCHEMBL10272367 | 0.78 | ALDH1A1 (0.48) | TP53ALDH1A1ESR1 | |
| SCHEMBL14229898 | 0.77 | TP53 (0.40) | TP53ALDH1A1MLYCDNPC1JAK2 | |
| SCHEMBL31287485 | 0.75 | ALDH1A1 (0.44) | TP53ALDH1A1RAB9AESR1HDAC3 |
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 |