Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | SHBG | P04278 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | IDH1 | O75874 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | CCNC | P24863 | 1/20 | 0.30 |
| ▸ | CDK8 | P49336 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25959372 | 0.82 | HRH3 (0.32) | CYP3A4KDM4EALDH1A1TSHRTDP1 | |
| SCHEMBL17070541 | 0.79 | SRD5A2 (0.35) | ESR1ESR2CA2TSHRTDP1 | |
| SCHEMBL15071844 | 0.75 | ALDH1A1 (0.47) | ESR1ESR2CA2CYP3A4KDM4E | |
| SCHEMBL14174580 | 0.75 | ALDH1A1 (0.47) | ESR1ESR2CA2CYP3A4KDM4E | |
| SCHEMBL146770 | 0.73 | CALM1 (0.50) | ESR1ESR2CYP3A4CYP2C19TSHR | |
| SCHEMBL29675106 | 0.73 | CALM1 (0.50) | ESR1ESR2CYP3A4CYP2C19TSHR | |
| SCHEMBL13687805 | 0.73 | IDO1 (0.46) | ESR1ESR2CYP3A4KMT2AALDH1A1 | |
| SCHEMBL20412549 | 0.73 | IDO1 (0.46) | ESR1ESR2CYP3A4KMT2AALDH1A1 | |
| SCHEMBL19764513 | 0.72 | ESR1 (0.50) | ESR1ESR2CA2SHBGKMT2A | |
| SCHEMBL26032094 | 0.69 | ALDH1A1 (0.37) | CYP3A4ALDH1A1TSHRTDP1TAAR1 |
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-20180057743-A1 | LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT | MERCK PATENT GMBH (DE) | 2018-03-01 | — | — | US | disclosed |
| US-9809748-B2 | Liquid-crystalline media having homeotropic alignment | MERCK PATENT GMBH (DE) | 2017-11-07 | — | — | US | disclosed |
| US-20150252265-A1 | LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT | MERCK PATENT GMBH (DE) | 2015-09-10 | — | — | US | disclosed |