Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 8/20 | 0.40 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | PTGES | O14684 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4593881 | 1.00 | ESR1 (0.40) | ESR1CNR2CNR1SMPD1TRPV1 | |
| SCHEMBL9562068 | 0.91 | RIPK1 (0.36) | ESR1TRPV1BCHEACHE | |
| SCHEMBL9562061 | 0.91 | RIPK1 (0.36) | ESR1TRPV1BCHEACHE | |
| SCHEMBL9346287 | 0.89 | L3MBTL1 (0.41) | PPARGPTGESALOX5HPGD | |
| SCHEMBL9346299 | 0.89 | L3MBTL1 (0.41) | PPARGPTGESALOX5HPGD | |
| SCHEMBL9723164 | 0.88 | S1PR5 (0.41) | ESR1CNR2CNR1SMPD1PPARG | |
| SCHEMBL9723248 | 0.87 | S1PR5 (0.43) | ESR1CNR2CNR1SMPD1 | |
| SCHEMBL9419280 | 0.87 | S1PR5 (0.38) | CNR2CNR1PPARGPTGESALOX5 | |
| SCHEMBL9723176 | 0.87 | S1PR5 (0.43) | ESR1CNR2CNR1SMPD1 | |
| SCHEMBL9590535 | 0.85 | L3MBTL1 (0.38) | PPARGPTGESALOX5HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-1187802-B1 | LIQUID CRYSTAL COMPOUNDS | ROLIC AG (CH) | 2008-01-02 | — | — | EP | disclosed |
| US-6746729-B1 | COMPONENTS OF POLYMERIZABLE LIQUID CRYSTALLINE MIXTURES IN PRODUCTION OF ORIENTATED LIQUID CRYSTALLINE POLYMER NETWORKS | ROLIC AG (CH) | 2004-06-08 | — | — | US | disclosed |
| EP-1046631-A1 | Liquid crystalline compounds | Rolic AG (CH) | 2000-10-25 | — | — | EP | disclosed |