Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 5/20 | 0.34 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.32 |
| ▸ | CYP26A1 | O43174 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10986425 | 0.82 | TBXAS1 (0.39) | TBXAS1FAAHMGLLCYP24A1ALDH1A1 | |
| SCHEMBL2451086 | 0.81 | CYP24A1 (0.38) | TBXAS1AHRFAAHMGLLCYP24A1 | |
| SCHEMBL2903981 | 0.77 | CYP26A1 (0.40) | TBXAS1AHRCYP26A1ALDH1A1 | |
| SCHEMBL29187444 | 0.76 | ALDH1A1 (0.36) | TBXAS1AHRFAAHMGLLCYP24A1 | |
| SCHEMBL27404668 | 0.76 | HSD17B10 (0.37) | TBXAS1AHRCYP24A1ALDH1A1HTT | |
| SCHEMBL15887078 | 0.76 | ADRB2 (0.35) | TBXAS1AHRCYP24A1ALDH1A1 | |
| SCHEMBL3321495 | 0.76 | TBXAS1 (0.36) | TBXAS1FAAHMGLLALDH1A1HTT | |
| SCHEMBL217356 | 0.76 | ALDH1A1 (0.42) | TBXAS1AHRFAAHMGLLALDH1A1 | |
| SCHEMBL13086506 | 0.76 | TBXAS1 (0.39) | TBXAS1FAAHMGLLCYP24A1ALDH1A1 | |
| SCHEMBL31406607 | 0.75 | CYP24A1 (0.39) | TBXAS1AHRFAAHMGLLCYP24A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102459249-A | Benzoxazepines based p13k/mt0r inhibitors against proliferative diseases | EXELIXIS INC | 2012-05-16 | — | — | CN | disclosed |
| CN-102459248-A | Benzoxepin as PI3K/mTOR inhibitors and methods of their use and manufacture | EXELIXIS INC | 2012-05-16 | — | — | CN | disclosed |