Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | ECE1 | P42892 | 5/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | CCR2 | P41597 | 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 | |
|---|---|---|---|---|
| SCHEMBL6020446 | 0.82 | CCR2 (0.60) | KMT2AMEN1ECE1CCR2 | |
| SCHEMBL7962237 | 0.82 | AR (0.60) | KMT2ACYP19A1MEN1L3MBTL1MAPT | |
| SCHEMBL6019085 | 0.82 | NOD2 (0.50) | KMT2AALDH1A1MEN1L3MBTL1MAPT | |
| SCHEMBL6173011 | 0.80 | KMT2A (0.41) | CYP1A2CYP2C19KMT2AALDH1A1POLB | |
| SCHEMBL6174275 | 0.80 | CCR2 (0.42) | KMT2ACYP19A1MEN1L3MBTL1ECE1 | |
| SCHEMBL10413206 | 0.79 | L3MBTL1 (0.54) | KMT2AALDH1A1POLBMEN1L3MBTL1 | |
| SCHEMBL6608103 | 0.78 | ALDH1A1 (0.46) | KMT2AALDH1A1POLBMEN1L3MBTL1 | |
| SCHEMBL6020330 | 0.78 | ECE1 (0.65) | ECE1 | |
| SCHEMBL6018607 | 0.78 | ECE1 (0.59) | ECE1 | |
| SCHEMBL6086406 | 0.76 | MEN1 (0.56) | CYP1A2CYP2C19KMT2AALDH1A1POLB |
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 |