Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 2/20 | 0.35 |
| ▸ | USP5 | P45974 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | CCR2 | P41597 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9250477 | 0.95 | USP5 (0.35) | ESR2USP5HDAC6CCR2HTR2A | |
| SCHEMBL13790844 | 0.95 | USP5 (0.35) | ESR2USP5HDAC6CCR2HTR2A | |
| SCHEMBL18708399 | 0.95 | USP5 (0.35) | ESR2USP5HDAC6CCR2HTR2A | |
| SCHEMBL9254845 | 0.92 | S1PR1 (0.38) | ESR2USP5HDAC6CCR2HTR2A | |
| SCHEMBL8517975 | 0.89 | ESR2 (0.35) | ESR2USP5HDAC6CCR2HTR2A | |
| SCHEMBL9476557 | 0.87 | ESR2 (0.36) | ESR2USP5HDAC6CCR2HTR2A | |
| SCHEMBL9476565 | 0.87 | ESR2 (0.36) | ESR2USP5HDAC6CCR2HTR2A | |
| SCHEMBL9476545 | 0.87 | ESR2 (0.36) | ESR2USP5HDAC6CCR2HTR2A | |
| SCHEMBL9476551 | 0.87 | ESR2 (0.36) | ESR2USP5HDAC6CCR2HTR2A | |
| SCHEMBL9319896 | 0.87 | S1PR1 (0.37) | ESR2USP5HDAC6CCR2HTR2A |
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 |