Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 2/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | RARB | P10826 | 3/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 9/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 7/20 | 0.36 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.34 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9253948 | 0.94 | RARB (0.35) | CYP11B1CYP11B2CYP17A1RARBGRIN2B | |
| SCHEMBL9252364 | 0.92 | CYP11B1 (0.41) | CYP11B1CYP11B2CYP17A1RARBGRIN2B | |
| SCHEMBL9249705 | 0.86 | CYP11B1 (0.36) | CYP11B1CYP11B2CYP17A1RARBGRIN2B | |
| SCHEMBL9252022 | 0.86 | RARB (0.40) | RARBGRIN2BRAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL9253679 | 0.84 | RARB (0.40) | CYP11B1CYP11B2RARBGRIN2BRAB9A | |
| SCHEMBL9252963 | 0.83 | RARB (0.40) | RARBRAB9ASMN1; SMN2HSD17B10KDM4E | |
| SCHEMBL9253788 | 0.81 | RARB (0.40) | RARBRAB9ASMN1; SMN2HSD17B10KDM4E | |
| SCHEMBL15783706 | 0.81 | RARB (0.57) | CYP11B1CYP11B2CYP17A1RARBRAB9A | |
| SCHEMBL8380866 | 0.80 | RARB (0.59) | CYP11B1CYP11B2CYP17A1RARBRAB9A | |
| SCHEMBL9149216 | 0.79 | RAB9A (0.49) | CYP11B1CYP11B2CYP17A1RARBGRIN2B |
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 |