Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.68 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MLYCD | O95822 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4158666 | 0.91 | TP53 (0.60) | TP53ALDH1A1MEN1KMT2APOLB | |
| SCHEMBL4158674 | 0.88 | TP53 (0.56) | TP53ALDH1A1MEN1KMT2APOLB | |
| SCHEMBL4157179 | 0.87 | TP53 (0.63) | TP53ALDH1A1MEN1KMT2APOLB | |
| SCHEMBL4055701 | 0.85 | CYP3A4 (0.58) | TP53ALDH1A1MEN1KMT2APOLB | |
| SCHEMBL11446155 | 0.84 | ALDH1A1 (0.62) | TP53ALDH1A1MEN1KMT2APOLB | |
| SCHEMBL14200322 | 0.84 | TP53 (0.63) | TP53ALDH1A1MEN1KMT2APOLB | |
| SCHEMBL14229096 | 0.83 | TP53 (0.51) | TP53ALDH1A1CYP3A4NPC1JAK2 | |
| SCHEMBL14229099 | 0.83 | TP53 (0.51) | TP53ALDH1A1CYP3A4LMNANPC1 | |
| SCHEMBL4058268 | 0.83 | POLB (0.59) | TP53ALDH1A1MEN1KMT2APOLB | |
| SCHEMBL14229516 | 0.82 | TP53 (0.50) | TP53ALDH1A1KMT2ALMNANPC1 |
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 |