Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRL1 | P41146 | 8/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | USP5 | P45974 | 2/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | CCR2 | P41597 | 1/20 | 0.37 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.36 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.35 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9256609 | 1.00 | OPRL1 (0.40) | OPRL1ESR2HTR2AHTR2CHTR2B | |
| SCHEMBL9256602 | 1.00 | OPRL1 (0.40) | OPRL1ESR2HTR2AHTR2CHTR2B | |
| SCHEMBL9249171 | 0.96 | USP5 (0.38) | OPRL1ESR2HTR2AHTR2CHTR2B | |
| SCHEMBL9249154 | 0.96 | USP5 (0.38) | OPRL1ESR2HTR2AHTR2CHTR2B | |
| SCHEMBL9249166 | 0.96 | USP5 (0.38) | OPRL1ESR2HTR2AHTR2CHTR2B | |
| SCHEMBL9255592 | 0.87 | OPRL1 (0.39) | OPRL1ESR2 | |
| SCHEMBL9250467 | 0.87 | OPRL1 (0.41) | OPRL1ESR2DGAT1 | |
| SCHEMBL9250468 | 0.87 | OPRL1 (0.41) | OPRL1ESR2DGAT1 | |
| SCHEMBL9250472 | 0.87 | OPRL1 (0.41) | OPRL1ESR2DGAT1 | |
| SCHEMBL9255589 | 0.87 | OPRL1 (0.39) | OPRL1ESR2 |
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 5 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 |
| 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 |