Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 5/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.38 |
| ▸ | ESR1 | P03372 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | LSS | P48449 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9250423 | 1.00 | ESR2 (0.42) | ESR2DRD2IDO1CYP2C9ESR1 | |
| SCHEMBL9250432 | 1.00 | ESR2 (0.42) | ESR2DRD2IDO1CYP2C9ESR1 | |
| SCHEMBL8034938 | 0.95 | ESR2 (0.40) | ESR2DRD2IDO1CYP2C9ESR1 | |
| SCHEMBL9136639 | 0.95 | ESR2 (0.40) | ESR2DRD2IDO1CYP2C9ESR1 | |
| SCHEMBL8034940 | 0.95 | ESR2 (0.40) | ESR2DRD2IDO1CYP2C9ESR1 | |
| SCHEMBL8034935 | 0.95 | ESR2 (0.40) | ESR2DRD2IDO1CYP2C9ESR1 | |
| SCHEMBL8034648 | 0.94 | ESR2 (0.41) | ESR2DRD2IDO1CYP2C9ESR1 | |
| SCHEMBL6142115 | 0.92 | ESR2 (0.37) | ESR2DRD2IDO1CYP2C9ESR1 | |
| SCHEMBL9252592 | 0.91 | ESR2 (0.41) | ESR2DRD2IDO1CYP2C9ESR1 | |
| SCHEMBL9252599 | 0.91 | ESR2 (0.41) | ESR2DRD2IDO1CYP2C9ESR1 |
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 |