Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9254779 | 1.00 | TSHR (0.34) | TSHRALDH1A1CYP1A2CHRNB2CHRNA7 | |
| SCHEMBL9254773 | 1.00 | TSHR (0.34) | TSHRALDH1A1CYP1A2CHRNB2CHRNA7 | |
| SCHEMBL9250381 | 0.94 | TSHR (0.36) | TSHRALDH1A1CYP1A2CHRNB2CHRNA7 | |
| SCHEMBL9250372 | 0.94 | TSHR (0.36) | TSHRALDH1A1CYP1A2CHRNB2CHRNA7 | |
| SCHEMBL9255074 | 0.93 | TSHR (0.37) | TSHRALDH1A1CYP1A2 | |
| SCHEMBL9255086 | 0.93 | TSHR (0.37) | TSHRALDH1A1CYP1A2 | |
| SCHEMBL9255081 | 0.93 | TSHR (0.37) | TSHRALDH1A1CYP1A2 | |
| SCHEMBL19339370 | 0.93 | CYP1A2 (0.30) | CYP1A2 | |
| SCHEMBL9256290 | 0.91 | TSHR (0.38) | TSHRALDH1A1CYP1A2 | |
| SCHEMBL9256284 | 0.91 | TSHR (0.38) | TSHRALDH1A1CYP1A2 |
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 9 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 |
| 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 |
| EP-0331933-A2 | Liquid crystal mixture with a low optical anisotropy | F. HOFFMANN-LA ROCHE AG (CH) | 1989-09-13 | — | — | EP | disclosed |
| EP-0315014-A2 | Halogenated benzene derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1989-05-10 | — | — | EP | disclosed |
| EP-0315050-A2 | Alcenyl bicyclohexanes | F. HOFFMANN-LA ROCHE AG (CH) | 1989-05-10 | — | — | EP | disclosed |