Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 1/20 | 0.36 |
| ▸ | GPR17 | Q13304 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.33 |
| ▸ | AHR | P35869 | 2/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6217225 | 0.79 | FEN1 (0.41) | ERN1HPGDGFERHTR2AHTR2C | |
| SCHEMBL7493525 | 0.79 | ALDH1A1 (0.48) | ERN1GPR17HPGDGFERMEN1 | |
| SCHEMBL29952632 | 0.79 | MEN1 (0.39) | ERN1GPR17PDPK1CDK1CDK2 | |
| SCHEMBL933390 | 0.79 | HTR2A (0.51) | ERN1HPGDGFERHTR2AHTR2C | |
| SCHEMBL7490077 | 0.79 | CYP2A6 (0.47) | ERN1GPR17HPGDGFERHTR2A | |
| SCHEMBL11292985 | 0.78 | MEN1 (0.40) | ERN1HPGDGFERHTR2AHTR2C | |
| SCHEMBL29655578 | 0.77 | SLC2A1 (0.49) | ERN1HPGDHTR2CPTGS1PTGS2 | |
| SCHEMBL7496063 | 0.76 | PLK4 (0.45) | HPGDGFERPTGS2MEN1MAPT | |
| SCHEMBL10936852 | 0.74 | HPGD (0.39) | ERN1HPGDGFERHTR2AHTR2C | |
| SCHEMBL248974 | 0.71 | HPGD (0.61) | HPGDGFERMEN1MAPTKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012001308-A9 | METHOD FOR SYNTHESIZING ERGOLINE ALKALOIDS FROM INDOLIC BICYCLIC COMPOUNDS BY DOUBLE CYCLIZATION, RESULTING MATERIALS, AND INTERMEDIATE MATERIALS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2012-03-22 | — | — | WO | disclosed |
| WO-2012001308-A1 | METHOD FOR SYNTHESIZING ERGOLINE ALKALOIDS FROM INDOLIC BICYCLIC COMPOUNDS BY DOUBLE CYCLIZATION, RESULTING MATERIALS, AND INTERMEDIATE MATERIALS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2012-01-05 | — | — | WO | disclosed |