Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 5/20 | 0.47 |
| ▸ | CYP4A11 | Q02928 | 4/20 | 0.46 |
| ▸ | CYP4F2 | P78329 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | RARB | P10826 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 3/20 | 0.40 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | TACR2 | P21452 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SHBG | P04278 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16807167 | 0.98 | CYP4A11 (0.47) | BCHECYP4A11CYP4F2CA2RARB | |
| SCHEMBL16807168 | 0.94 | CYP4A11 (0.46) | BCHECYP4A11CYP4F2CA2RARB | |
| SCHEMBL16807176 | 0.92 | RARB (0.46) | BCHECYP4A11CYP4F2CA2RARB | |
| SCHEMBL16807186 | 0.92 | RARB (0.49) | BCHERARBACHEESR1ADRA2A | |
| SCHEMBL16807172 | 0.92 | BCHE (0.46) | BCHECYP4A11CYP4F2CA2RARB | |
| SCHEMBL16807180 | 0.92 | RARB (0.49) | BCHERARBACHEESR1ADRA2A | |
| SCHEMBL16807181 | 0.92 | RARB (0.49) | BCHERARBACHEESR1ADRA2A | |
| SCHEMBL16807162 | 0.91 | IGF1R (0.47) | BCHECYP4A11CYP4F2CA2RARB | |
| SCHEMBL16807173 | 0.91 | BCHE (0.43) | BCHECYP4A11CYP4F2CA2RARB | |
| SCHEMBL16807179 | 0.91 | RARB (0.47) | BCHECYP4A11CYP4F2RARBACHE |
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-20150166890-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2015-06-18 | — | — | US | disclosed |
| US-20150166890-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2015-06-18 | — | — | US | disclosed |