Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 9/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CCR1 | P32246 | 1/20 | 0.31 |
| ▸ | ICMT | O60725 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL10408379 | 0.82 | CYP19A1 (0.38) | CYP19A1SLC6A3SLC6A4SLC6A2POLB | |
| SCHEMBL14861187 | 0.81 | CNR2 (0.43) | CYP19A1SLC6A3SLC6A4SLC6A2CNR1 | |
| SCHEMBL8734995 | 0.79 | CNR2 (0.48) | CYP19A1SLC6A3SLC6A4SLC6A2CNR1 | |
| SCHEMBL8735120 | 0.78 | CNR2 (0.50) | CYP19A1SLC6A3SLC6A4SLC6A2CNR1 | |
| SCHEMBL9552831 | 0.78 | SLC6A3 (0.41) | CYP19A1SLC6A3SLC6A4SLC6A2CNR1 | |
| SCHEMBL4820101 | 0.77 | CYP2A6 (0.40) | CYP19A1SLC6A3SLC6A4SLC6A2ICMT | |
| SCHEMBL10721091 | 0.76 | TSHR (0.49) | SLC6A3SLC6A4HRH3SLC6A2ICMT | |
| SCHEMBL9013703 | 0.75 | CNR2 (0.44) | CYP19A1SLC6A3SLC6A4SLC6A2ICMT | |
| SCHEMBL11574164 | 0.75 | TSHR (0.51) | SLC6A3SLC6A4HRH3SLC6A2ICMT | |
| SCHEMBL9553615 | 0.75 | SLC6A3 (0.42) | CYP19A1SLC6A3SLC6A4HRH3SLC6A2 |
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 3 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 |
| US-5230826-A | HALOBENZENE LIQUID CRYSTALS | HOFFMANN-LA ROCHE INC. (US) | 1993-07-27 | — | — | US | disclosed |