Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 5/20 | 0.60 |
| ▸ | RCOR1 | Q9UKL0 | 5/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | HTT | P42858 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | ECE1 | P42892 | 11/20 | 0.53 |
| ▸ | CNR2 | P34972 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6018900 | 0.87 | ECE1 (0.66) | KDM1ARCOR1ALDH1A1HTTTSHR | |
| SCHEMBL6018965 | 0.85 | KDM1A (0.50) | KDM1ARCOR1ALDH1A1HTTTSHR | |
| SCHEMBL6018635 | 0.83 | KDM1A (0.56) | KDM1ARCOR1ALDH1A1HTTTSHR | |
| SCHEMBL2125011 | 0.81 | CNR2 (0.50) | KDM1ARCOR1ALDH1A1HTTTSHR | |
| SCHEMBL8362934 | 0.80 | ECE1 (0.81) | ECE1 | |
| SCHEMBL8362917 | 0.80 | ECE1 (0.68) | ECE1 | |
| SCHEMBL8334899 | 0.80 | ECE1 (0.68) | ECE1 | |
| SCHEMBL6467410 | 0.79 | ECE1 (0.42) | KDM1ARCOR1ALDH1A1HTTTSHR | |
| SCHEMBL23045603 | 0.75 | KDM4E (0.52) | ALDH1A1TSHRKDM4EMEN1KMT2A | |
| SCHEMBL31383524 | 0.75 | KDM4E (0.52) | ALDH1A1TSHRKDM4EMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004056768-A2 | USE OF SUBSTITUTED 2,5-DIAMIDOINDOLES FOR THE TREATMENT OF UROLOGICAL DISEASES | BAYER HEALTHCARE AG (DE) | 2004-07-08 | — | — | WO | 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 |