Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | CYP17A1 | P05093 | 5/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.43 |
| ▸ | APP | P05067 | 2/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.39 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9305877 | 1.00 | CYP3A4 (0.44) | CYP3A4IDO1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL5491719 | 0.91 | CYP3A4 (0.50) | CYP3A4IDO1APPESR1ESR2 | |
| SCHEMBL9306794 | 0.90 | CALM1 (0.57) | CYP3A4IDO1APPALDH1A1TSHR | |
| SCHEMBL66792 | 0.80 | METAP2 (0.42) | CYP3A4IDO1APPESR1ESR2 | |
| SCHEMBL75931 | 0.80 | METAP2 (0.42) | CYP3A4IDO1APPESR1ESR2 | |
| SCHEMBL2069523 | 0.80 | METAP2 (0.42) | CYP3A4IDO1APPESR1ESR2 | |
| SCHEMBL4511 | 0.80 | CALM1 (0.67) | CYP3A4IDO1APPALDH1A1CA12 | |
| SCHEMBL9440416 | 0.79 | ESR1 (0.50) | CYP3A4CYP17A1CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL17381512 | 0.78 | IDO1 (0.46) | CYP3A4IDO1APPALDH1A1TSHR | |
| SCHEMBL7102517 | 0.78 | EGFR (0.48) | CYP3A4IDO1APPHRH3ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9752075-B2 | Mesogenic media and liquid crystal display | MERCK PATENT GMBH (DE) | 2017-09-05 | — | — | US | disclosed |
| US-20160298031-A1 | MESOGENIC MEDIA AND LIQUID CRYSTAL DISPLAY | MERCK PATENT GMBH (DE) | 2016-10-13 | — | — | US | disclosed |
| US-20150175886-A1 | MESOGENIC MEDIA AND LIQUID CRYSTAL DISPLAY | MERCK PATENT GMBH (DE) | 2015-06-25 | — | — | US | disclosed |