Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.75 |
| ▸ | TP53 | P04637 | 2/20 | 0.75 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.75 |
| ▸ | MEN1 | O00255 | 1/20 | 0.75 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.75 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.75 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.75 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.75 |
| ▸ | HRH3 | Q9Y5N1 | 16/20 | 0.67 |
| ▸ | RAB9A | P51151 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL7809622 | 0.91 | NPC1 (0.92) | NPC1TP53KDM4EMEN1ALDH1A1 | |
| SCHEMBL7811609 | 0.84 | NPC1 (0.78) | NPC1TP53KDM4EMEN1ALDH1A1 | |
| SCHEMBL26464403 | 0.83 | NPC1 (0.91) | NPC1TP53KDM4EMEN1ALDH1A1 | |
| SCHEMBL31484892 | 0.83 | HRH3 (0.78) | NPC1TP53KDM4EMEN1ALDH1A1 | |
| SCHEMBL7812467 | 0.82 | NPC1 (0.64) | NPC1TP53KDM4EMEN1ALDH1A1 | |
| SCHEMBL3040585 | 0.82 | HRH3 (0.74) | NPC1TP53KDM4EMEN1ALDH1A1 | |
| SCHEMBL7815776 | 0.82 | NPC1 (0.67) | NPC1TP53KDM4EMEN1ALDH1A1 | |
| SCHEMBL3036251 | 0.82 | HRH3 (0.74) | NPC1TP53KDM4EMEN1ALDH1A1 | |
| SCHEMBL7803337 | 0.81 | NPC1 (0.66) | NPC1TP53KDM4EMEN1ALDH1A1 | |
| SCHEMBL7809854 | 0.81 | NPC1 (0.73) | NPC1TP53KDM4EMEN1ALDH1A1 |
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-1976828-A1 | DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE | Schering Aktiengesellschaft (DE) | 2008-10-08 | — | — | EP | disclosed |
| WO-2007079078-A1 | DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2007-07-12 | — | — | WO | disclosed |