Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JUN | P05412 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28549561 | 0.79 | JUN (0.38) | JUNNFKB1NFKB2RELAALDH1A1 | |
| SCHEMBL24143947 | 0.77 | ALDH1A1 (0.40) | JUNNFKB1NFKB2RELAALDH1A1 | |
| SCHEMBL1070960 | 0.77 | JUN (0.44) | JUNNFKB1NFKB2RELAALDH1A1 | |
| SCHEMBL9924106 | 0.77 | JUN (0.37) | JUNNFKB1NFKB2RELAALDH1A1 | |
| SCHEMBL3707825 | 0.77 | JUN (0.34) | JUNNFKB1NFKB2RELAALDH1A1 | |
| Hydrochloric Acid SCHEMBL22042735 | 0.76 | LMNA (0.40) | JUNNFKB1NFKB2RELAALDH1A1 | |
| SCHEMBL27231001 | 0.74 | JUN (0.41) | JUNNFKB1NFKB2RELAALDH1A1 | |
| SCHEMBL27866542 | 0.74 | DGAT1 (0.34) | JUNNFKB1NFKB2RELAALDH1A1 | |
| SCHEMBL2713824 | 0.71 | JUN (0.40) | JUNNFKB1NFKB2RELAALDH1A1 | |
| SCHEMBL111337 | 0.71 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2445909-B1 | DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES | BOEHRINGER INGELHEIM INT (DE) | 2013-11-13 | — | — | EP | disclosed |