Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL9766520 | 0.88 | ESR1 (0.33) | SMN1; SMN2KDM4E | |
| SCHEMBL1979236 | 0.87 | CHRNB2 (0.38) | CHRNB2CHRNA6HTTSMN1; SMN2TAAR1 | |
| SCHEMBL28383696 | 0.83 | TAAR1 (0.48) | CHRNB2CHRNA6TAAR1TSHR | |
| SCHEMBL9291902 | 0.80 | HTT (0.35) | HTTSMN1; SMN2OPRK1KDM4EADRB2 | |
| SCHEMBL11582747 | 0.79 | ESR1 (0.52) | HTTTAAR1OPRK1KDM4EADRB2 | |
| SCHEMBL22340602 | 0.79 | TAAR1 (0.40) | CHRNB2CHRNA6HTTSMN1; SMN2TAAR1 | |
| SCHEMBL27906651 | 0.79 | GFER (0.52) | TAAR1TSHR | |
| SCHEMBL25824860 | 0.79 | TAAR1 (0.45) | TAAR1KDM4E | |
| SCHEMBL19231716 | 0.79 | HRH3 (0.41) | TAAR1 | |
| SCHEMBL9146878 | 0.78 | ESR1 (0.35) | TAAR1 |
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-5034152-A | Liquid crystal 4-alkylbenzenethiols, ferroelectricity | CANON KABUSHIKI KAISHA (JP) | 1991-07-23 | — | — | US | claimed |
| US-5034152-A | Liquid crystal 4-alkylbenzenethiols, ferroelectricity | CANON KABUSHIKI KAISHA (JP) | 1991-07-23 | — | — | US | disclosed |
| US-4816178-A | Optically active compound and liquid crystal composition containing same | CANON KABUSHIKI KAISHA (JP) | 1989-03-28 | — | — | US | disclosed |