Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 2/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.35 |
| ▸ | SGPL1 | O95470 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 2/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | USP5 | P45974 | 2/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.30 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL9256814 | 1.00 | CCR2 (0.36) | CCR2ESR2SGPL1S1PR1HTR2A | |
| SCHEMBL9256824 | 1.00 | CCR2 (0.36) | CCR2ESR2SGPL1S1PR1HTR2A | |
| SCHEMBL9253959 | 0.92 | ESR2 (0.36) | CCR2ESR2HTR2AHTR2CHTR2B | |
| SCHEMBL9253967 | 0.92 | ESR2 (0.36) | CCR2ESR2HTR2AHTR2CHTR2B | |
| SCHEMBL9253972 | 0.92 | ESR2 (0.36) | CCR2ESR2HTR2AHTR2CHTR2B | |
| SCHEMBL9254311 | 0.88 | CYP2D6 (0.39) | ESR2SGPL1S1PR1OPRL1DGAT1 | |
| SCHEMBL9254317 | 0.88 | CYP2D6 (0.39) | ESR2SGPL1S1PR1OPRL1DGAT1 | |
| SCHEMBL9253715 | 0.88 | OPRL1 (0.34) | ESR2SGPL1S1PR1OPRL1 | |
| SCHEMBL9253708 | 0.88 | OPRL1 (0.34) | ESR2SGPL1S1PR1OPRL1 | |
| SCHEMBL9254312 | 0.88 | CYP2D6 (0.39) | ESR2SGPL1S1PR1OPRL1DGAT1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5454974-A | Halobenzene liquid crystals | HOFFMANN-LA ROCHE INC. (US) | 1995-10-03 | — | — | US | disclosed |
| US-5302317-A | Halobenzene liquid crystals | HOFFMANN-LA ROCHE INC. (US) | 1994-04-12 | — | — | US | disclosed |
| EP-0315014-B1 | Halogenated benzene derivatives | HOFFMANN LA ROCHE (CH) | 1994-01-12 | — | — | EP | disclosed |
| EP-0315050-B1 | ALCENYL BICYCLOHEXANES | F. HOFFMANN-LA ROCHE AG (CH) | 1993-09-01 | — | — | EP | disclosed |
| US-5230826-A | HALOBENZENE LIQUID CRYSTALS | HOFFMANN-LA ROCHE INC. (US) | 1993-07-27 | — | — | US | disclosed |
| US-5013477-A | Alkenylbicyclohexane liquid crystals | HOFFMANN-LA ROCHE INC. (US) | 1991-05-07 | — | — | US | disclosed |
| EP-0331933-A2 | Liquid crystal mixture with a low optical anisotropy | F. HOFFMANN-LA ROCHE AG (CH) | 1989-09-13 | — | — | EP | disclosed |
| EP-0315014-A2 | Halogenated benzene derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1989-05-10 | — | — | EP | disclosed |
| EP-0315050-A2 | Alcenyl bicyclohexanes | F. HOFFMANN-LA ROCHE AG (CH) | 1989-05-10 | — | — | EP | disclosed |