Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | ECE1 | P42892 | 5/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10413206 | 0.84 | L3MBTL1 (0.54) | ALDH1A1KMT2APOLBL3MBTL1MAPT | |
| SCHEMBL6019265 | 0.79 | NOD2 (0.52) | ALDH1A1KMT2APOLBL3MBTL1MAPT | |
| SCHEMBL6611835 | 0.78 | CYP1A2 (0.50) | ALDH1A1KMT2APOLBL3MBTL1MAPT | |
| SCHEMBL6173849 | 0.77 | KMT2A (0.43) | ALDH1A1KMT2APOLBL3MBTL1TP53 | |
| SCHEMBL8334902 | 0.74 | ECE1 (0.61) | ECE1 | |
| SCHEMBL8334899 | 0.74 | ECE1 (0.68) | ECE1 | |
| SCHEMBL8338253 | 0.73 | ECE1 (0.64) | ECE1 | |
| SCHEMBL9958735 | 0.72 | KDM4E (0.50) | ALDH1A1KMT2APOLBMAPTTP53 | |
| SCHEMBL3321752 | 0.72 | ALDH1A1 (0.50) | ALDH1A1KMT2AL3MBTL1MAPTTP53 | |
| SCHEMBL23902668 | 0.71 | PPARG (0.45) | ALDH1A1MAPTTP53GAATSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1432415-A1 | SUBSTITUTED 2,5-DIAMIDOINDOLES AS ECE INHIBITORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES | Bayer HealthCare AG (DE) | 2004-06-30 | — | — | EP | disclosed |
| WO-2003028719-A1 | SUBSTITUTED 2,5-DIAMIDOINDOLES AS ECE INHIBITORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES | BAYER HEALTHCARE AG (DE) | 2003-04-10 | — | — | WO | disclosed |