Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.57 |
| ▸ | BDKRB2 | P30411 | 2/20 | 0.47 |
| ▸ | KLK7 | P49862 | 1/20 | 0.44 |
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
| ▸ | JAK1 | P23458 | 1/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.39 |
| ▸ | GHSR | Q92847 | 2/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.39 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | AGTR2 | P50052 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL475540 | 0.90 | ABCB1 (0.58) | ABCB1BDKRB2KLK7JAK2JAK1 | |
| SCHEMBL14457250 | 0.90 | ABCB1 (0.58) | ABCB1BDKRB2KLK7JAK2JAK1 | |
| SCHEMBL30421652 | 0.90 | ABCB1 (0.58) | ABCB1BDKRB2KLK7JAK2JAK1 | |
| SCHEMBL28995867 | 0.90 | ABCB1 (0.58) | ABCB1BDKRB2KLK7JAK2JAK1 | |
| SCHEMBL1721741 | 0.90 | ABCB1 (0.58) | ABCB1BDKRB2KLK7JAK2JAK1 | |
| SCHEMBL30421047 | 0.90 | ABCB1 (0.58) | ABCB1BDKRB2KLK7JAK2JAK1 | |
| SCHEMBL3855580 | 0.90 | ABCB1 (0.58) | ABCB1BDKRB2KLK7JAK2JAK1 | |
| SCHEMBL7327353 | 0.90 | ABCB1 (0.58) | ABCB1BDKRB2KLK7JAK2JAK1 | |
| SCHEMBL71548 | 0.90 | ABCB1 (0.58) | ABCB1BDKRB2KLK7JAK2JAK1 | |
| SCHEMBL28995776 | 0.89 | ABCB1 (0.57) | ABCB1BDKRB2KLK7JAK2JAK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1989012633-A1 | BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES | E.R. SQUIBB & SONS, INC. (US) | 1989-12-28 | — | — | WO | disclosed |