Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 3/20 | 0.51 |
| ▸ | RARB | P10826 | 3/20 | 0.50 |
| ▸ | RARA | P10276 | 2/20 | 0.50 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.46 |
| ▸ | THRA | P10827 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | MGLL | Q99685 | 4/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | S1PR3 | Q99500 | 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 | |
|---|---|---|---|---|
| SCHEMBL9399572 | 0.98 | S1PR1 (0.49) | S1PR1RARBRARAPTPN11THRA | |
| SCHEMBL10976642 | 0.93 | S1PR1 (0.47) | S1PR1RARBRARAPTPN11THRA | |
| SCHEMBL9399556 | 0.93 | THRA (0.52) | S1PR1RARBRARAPTPN11THRA | |
| SCHEMBL5865754 | 0.93 | L3MBTL1 (0.53) | S1PR1RARBRARAPTPN11THRA | |
| SCHEMBL9484097 | 0.93 | THRA (0.52) | S1PR1RARBRARAPTPN11THRA | |
| SCHEMBL9484969 | 0.93 | THRA (0.51) | S1PR1RARBRARAPTPN11THRA | |
| SCHEMBL10979158 | 0.92 | S1PR1 (0.52) | S1PR1RARBRARAPTPN11THRA | |
| SCHEMBL9484258 | 0.91 | THRA (0.53) | S1PR1RARBRARAPTPN11THRA | |
| SCHEMBL9484989 | 0.91 | THRA (0.53) | S1PR1RARBRARAPTPN11THRA | |
| SCHEMBL9483389 | 0.91 | THRA (0.53) | S1PR1RARBRARAPTPN11THRA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5338483-A | Anisotropic compounds having nematic phase and liquid crystal mixtures | MERCK PATENT GMBH (DE) | 1994-08-16 | — | — | US | disclosed |
| US-5310501-A | Anisotropic compounds having Nematic phase and liquid crystal mixtures | MERCK PATENT GMBH (DE) | 1994-05-10 | — | — | US | disclosed |
| US-5227484-A | ANISOTROPIC COMPOUNDS HAVING NEMATIC PHASE AND LIQUID CRYSTAL MIXTURES | MERCK PATENT GMBH (DE) | 1993-07-13 | — | — | US | disclosed |
| US-5179101-A | Anisotropic compounds having nematic phase and liquid crystal mixtures | MERCK PATENT GMBH (DE) | 1993-01-12 | — | — | US | disclosed |
| US-5047170-A | Anisotropic compounds having nematic phase and liquid crystal mixtures | MERCK PATENT GMBH (DE) | 1991-09-10 | — | — | US | disclosed |
| US-4808333-A | Anisotropic compounds having nematic phase and liquid crystal mixtures | MERCK PATENT GMBH (DE) | 1989-02-28 | — | — | US | disclosed |