Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 2/20 | 0.32 |
| ▸ | CTSD | P07339 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL22450955 | 0.83 | SMN1; SMN2 (0.44) | ALDH1A1SMN1; SMN2EPHX2CHRM5ADRA2C | |
| SCHEMBL23177636 | 0.79 | EPHX2 (0.34) | ALDH1A1SMN1; SMN2EPHX2L3MBTL1 | |
| SCHEMBL22875133 | 0.76 | TPSAB1 (0.48) | ALDH1A1HSD11B1FAAHEPHX2ATM | |
| SCHEMBL19239928 | 0.73 | KDM5A (0.32) | EPHX2 | |
| SCHEMBL22756299 | 0.72 | EPHX2 (0.35) | EPHX2 | |
| SCHEMBL18082566 | 0.72 | BACE1 (0.47) | ALDH1A1HSD11B1FAAHEPHX2BACE1 | |
| Ethylene SCHEMBL8002075 | 0.71 | CYP1A2 (0.48) | ALDH1A1SMN1; SMN2SIGMAR1ACHECYP1A2 | |
| SCHEMBL18481332 | 0.71 | CYP1A2 (0.52) | SIGMAR1ACHECYP1A2CHRM5ADRA2C | |
| SCHEMBL25446788 | 0.71 | CYP1A2 (0.52) | SIGMAR1ACHECYP1A2CHRM5ADRA2C | |
| Cyclohexane SCHEMBL10836383 | 0.71 | CYP1A2 (0.52) | SIGMAR1ACHECYP1A2CHRM5ADRA2C |
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-3348558-A1 | COMPOSITIONS COMPRISING FUSED IMIDAZOLE DERIVATIVES USEFUL AS IDO INHIBITORS | Newlink Genetics Corporation (US) | 2018-07-18 | — | — | EP | disclosed |