Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.34 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.33 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.33 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.33 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | LIPE | Q05469 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8830005 | 0.79 | MAPT (0.41) | TDP1ENPP2ORAI1ORAI2ORAI3 | |
| SCHEMBL9705641 | 0.78 | TDP1 (0.39) | TDP1ESR1BRPF1ALDH1A1L3MBTL1 | |
| SCHEMBL11133752 | 0.76 | CA1 (0.50) | TDP1ESR1ENPP2BRPF1ALDH1A1 | |
| SCHEMBL9298623 | 0.75 | ALDH1A1 (0.50) | TDP1ALDH1A1L3MBTL1GAAMAPT | |
| SCHEMBL31043442 | 0.74 | ENPP2 (0.34) | ENPP2ORAI1ORAI2ORAI3 | |
| Nitrogen SCHEMBL4600860 | 0.73 | ESR1 (0.46) | TDP1ESR1BRPF1ALDH1A1L3MBTL1 | |
| SCHEMBL29023721 | 0.73 | GAA (0.48) | TDP1ESR1ENPP2ORAI1ORAI2 | |
| SCHEMBL1044699 | 0.72 | LIPG (0.41) | ENPP2ORAI1ORAI2ORAI3ALDH1A1 | |
| SCHEMBL29591352 | 0.72 | LIPG (0.41) | ENPP2ORAI1ORAI2ORAI3ALDH1A1 | |
| SCHEMBL6299189 | 0.72 | TSHR (0.46) | TDP1ALDH1A1L3MBTL1TSHRGAA |
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-6936602-B1 | Benzazepine derivatives, process for the preparation of the same and uses thereof | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2005-08-30 | — | — | US | disclosed |
| EP-1186604-A1 | BENZAZEPINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2002-03-13 | — | — | EP | disclosed |