Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 4/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | PSMB1 | P20618 | 2/20 | 0.38 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.38 |
| ▸ | PSMB2 | P49721 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4891409 | 0.98 | LTA4H (0.45) | ALDH1A1KDM4ETDP1LTA4HPTGS2 | |
| SCHEMBL20377303 | 0.80 | KDM4E (0.47) | ALDH1A1KDM4ETDP1LTA4HKCNH2 | |
| SCHEMBL10637940 | 0.80 | CYP1A2 (0.46) | ALDH1A1KDM4EMEN1KMT2ALMNA | |
| SCHEMBL14607652 | 0.80 | MMP2 (0.39) | ALDH1A1KDM4ETDP1MEN1KMT2A | |
| SCHEMBL9901089 | 0.78 | ALDH1A1 (0.36) | ALDH1A1KDM4ETDP1LTA4HPTGS2 | |
| SCHEMBL14607630 | 0.77 | GNAI3 (0.38) | ALDH1A1LTA4HHRH3KCNH2LMNA | |
| Cyclopropane SCHEMBL7531022 | 0.77 | ALDH1A1 (0.46) | ALDH1A1 | |
| SCHEMBL14573960 | 0.76 | MMP2 (0.37) | ALDH1A1KDM4ETDP1LTA4HPTGS2 | |
| SCHEMBL14573946 | 0.76 | MMP2 (0.37) | ALDH1A1KDM4ETDP1LTA4HPTGS2 | |
| SCHEMBL14571793 | 0.74 | MMP2 (0.36) | ALDH1A1KDM4ETDP1LTA4HPTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5030641-A | Treatment of angina pectoris, hypotensive agents | BOEHRINGER MANNHEIM GMBH (DE) | 1991-07-09 | — | — | US | disclosed |
| EP-0366004-A1 | Cyclic azaaliphatic compounds with a nitroxy group, process for their preparation and pharmaceutical compositions thereof | Roche Diagnostics GmbH (DE) | 1990-05-02 | — | — | EP | disclosed |