Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIT | P10721 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | NOS1 | P29475 | 1/20 | 0.46 |
| ▸ | NOS2 | P35228 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | LTA4H | P09960 | 2/20 | 0.45 |
| ▸ | RHOC | P08134 | 1/20 | 0.44 |
| ▸ | RHOA | P61586 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3913456 | 0.83 | ALDH1A1 (0.59) | KITALDH1A1MAPTHTTNPC1 | |
| SCHEMBL3805407 | 0.83 | KDM4E (0.55) | KITALDH1A1MAPTHTTNPC1 | |
| SCHEMBL11457429 | 0.82 | KDM4E (0.63) | ALDH1A1MAPTHTTNPC1RAB9A | |
| SCHEMBL3040628 | 0.81 | ALDH1A1 (0.74) | ALDH1A1MAPTHTTNPC1MAPK1 | |
| SCHEMBL3913162 | 0.80 | MAPT (0.50) | KITALDH1A1MAPTHTTNPC1 | |
| SCHEMBL18141879 | 0.80 | MAPT (0.52) | ALDH1A1MAPTHTTNPC1MAPK1 | |
| SCHEMBL4636122 | 0.77 | NOS2 (0.50) | KITALDH1A1MAPTHTTNPC1 | |
| SCHEMBL3914506 | 0.77 | KDM4E (0.47) | KITALDH1A1MAPTHTTNPC1 | |
| SCHEMBL3981047 | 0.76 | KDM4E (0.46) | KITALDH1A1MAPTHTTNPC1 | |
| SCHEMBL10371811 | 0.76 | ALDH1A1 (0.58) | ALDH1A1MAPTHTTPOLBKDM4E |
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 |