Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 3/20 | 0.36 |
| ▸ | CCR2 | P41597 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.33 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.33 |
| ▸ | USP5 | P45974 | 2/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 5/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9253959 | 1.00 | ESR2 (0.36) | ESR2CCR2HTR2AHTR2CHTR2B | |
| SCHEMBL9253967 | 1.00 | ESR2 (0.36) | ESR2CCR2HTR2AHTR2CHTR2B | |
| SCHEMBL9136179 | 0.96 | ESR2 (0.34) | ESR2CCR2HTR2AHTR2CHTR2B | |
| SCHEMBL8771239 | 0.94 | ESR2 (0.35) | ESR2CCR2HTR2AHTR2CHTR2B | |
| SCHEMBL6686674 | 0.94 | ESR2 (0.35) | ESR2CCR2HTR2AHTR2CHTR2B | |
| SCHEMBL8771256 | 0.94 | ESR2 (0.35) | ESR2CCR2HTR2AHTR2CHTR2B | |
| SCHEMBL9256820 | 0.92 | CCR2 (0.36) | ESR2CCR2HTR2AHTR2CHTR2B | |
| SCHEMBL9256824 | 0.92 | CCR2 (0.36) | ESR2CCR2HTR2AHTR2CHTR2B | |
| SCHEMBL9256814 | 0.92 | CCR2 (0.36) | ESR2CCR2HTR2AHTR2CHTR2B | |
| SCHEMBL8517389 | 0.88 | ESR2 (0.36) | ESR2CCR2HTR2AHTR2CHTR2B |
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 |
| 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 |
| US-5230826-A | HALOBENZENE LIQUID CRYSTALS | HOFFMANN-LA ROCHE INC. (US) | 1993-07-27 | — | — | US | disclosed |
| EP-0315014-A2 | Halogenated benzene derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1989-05-10 | — | — | EP | disclosed |