Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 14/20 | 0.54 |
| ▸ | KDM1A | O60341 | 2/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | GMNN | O75496 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TYR | P14679 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL19753720 | 0.89 | ESR2 (0.48) | ESR2KDM1AACHEESR1CYP3A4 | |
| SCHEMBL18559915 | 0.78 | KDM1A (0.54) | ESR2KDM1AACHEESR1CYP3A4 | |
| SCHEMBL18559749 | 0.78 | KDM1A (0.54) | ESR2KDM1AACHEESR1CYP3A4 | |
| SCHEMBL10884060 | 0.77 | ESR2 (0.55) | ESR2KDM1AACHEESR1CYP3A4 | |
| Ammonia Solution, Strong SCHEMBL268752 | 0.76 | KDM1A (0.52) | ESR2KDM1AACHEESR1CYP3A4 | |
| SCHEMBL9861182 | 0.76 | ESR2 (0.48) | ESR2KDM1AACHEESR1CYP3A4 | |
| SCHEMBL10914783 | 0.75 | MAOB (0.48) | KDM1ACYP3A4CYP2C9MEN1LMNA | |
| SCHEMBL1983886 | 0.75 | KDM1A (0.50) | ESR2KDM1AESR1CYP3A4CYP2C9 | |
| SCHEMBL11865942 | 0.75 | ESR2 (0.52) | ESR2KDM1AESR1CYP3A4CYP2C9 | |
| SCHEMBL9135017 | 0.74 | KDM1A (0.60) | ESR2KDM1AACHEESR1CYP3A4 |
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-20140249606-A1 | ORGANIC IONIC COMPOUNDS, COMPOSITIONS AND ELECTRONIC DEVICES | MERCK PATENT GMBH PATENTS & SCIENTIFIC INFORMATION (DE) | 2014-09-04 | — | — | US | disclosed |
| US-20140249606-A1 | ORGANIC IONIC COMPOUNDS, COMPOSITIONS AND ELECTRONIC DEVICES | MERCK PATENT GMBH PATENTS & SCIENTIFIC INFORMATION (DE) | 2014-09-04 | — | — | US | disclosed |