Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HTR3A | P46098 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.41 |
| ▸ | TACR2 | P21452 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14038099 | 1.00 | ESR1 (0.48) | ESR1ESR2HDAC2HDAC8CA2 | |
| SCHEMBL108524 | 0.94 | ESR1 (0.54) | ESR1ESR2CA2TMEM97SIGMAR1 | |
| SCHEMBL106929 | 0.94 | ESR1 (0.54) | ESR1ESR2CA2TMEM97SIGMAR1 | |
| SCHEMBL10009929 | 0.90 | HRH3 (0.43) | HDAC2HDAC8GPR52 | |
| SCHEMBL19197846 | 0.85 | GPR52 (0.39) | HDAC2PTGS2GPR52 | |
| SCHEMBL23168311 | 0.82 | GPR52 (0.51) | HDAC2TAAR1LMNAPTGS1GPR52 | |
| SCHEMBL8838348 | 0.82 | GPR52 (0.51) | HDAC2TAAR1LMNAPTGS1GPR52 | |
| SCHEMBL19326441 | 0.82 | CYP1A2 (0.43) | BACE1TAAR1L3MBTL1TDP1GPR52 | |
| SCHEMBL21901329 | 0.82 | CYP1A2 (0.43) | BACE1TAAR1L3MBTL1TDP1GPR52 | |
| SCHEMBL28395941 | 0.82 | ESR1 (0.52) | ESR1ESR2CA2TMEM97SIGMAR1 |
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-20160319194-A1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2016-11-03 | — | — | US | disclosed |
| US-20160319194-A1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2016-11-03 | — | — | US | disclosed |