Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.31 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.31 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL12844001 | 0.77 | CYP2A6 (0.32) | CYP11B1ALDH1A1LMNAMAPTPKM | |
| SCHEMBL20041949 | 0.77 | CYP11B1 (0.31) | CYP11B1ALDH1A1LMNAMAPTPKM | |
| SCHEMBL24424614 | 0.76 | MAPK1 (0.39) | CYP11B1ALDH1A1LMNAMAPTPKM | |
| SCHEMBL29350921 | 0.74 | ALDH1A1 (0.38) | CYP11B1ALDH1A1LMNAMAPTPKM | |
| SCHEMBL217939 | 0.74 | ALDH1A1 (0.38) | CYP11B1ALDH1A1LMNAMAPTPKM | |
| SCHEMBL14521371 | 0.74 | HDAC8 (0.30) | — | |
| SCHEMBL1033248 | 0.71 | ALDH1A1 (0.40) | ALDH1A1MAPK1RAB9ANPSR1 | |
| SCHEMBL12153190 | 0.69 | — | — | |
| SCHEMBL620327 | 0.69 | — | — | |
| SCHEMBL30510612 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2548877-A1 | 4-(5-Membered fused pyridinyl)benzamides as BTK-inhibitors | MSD Oss B.V. (NL) | 2013-01-23 | — | — | EP | disclosed |