Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | STAT3 | P40763 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 6/20 | 0.34 |
| ▸ | SGPL1 | O95470 | 2/20 | 0.34 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.33 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.32 |
| ▸ | ESRRB | O95718 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 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 | |
|---|---|---|---|---|
| SCHEMBL8305593 | 0.87 | XDH (0.40) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL8445620 | 0.79 | ESR2 (0.34) | ESR2ESRRBESR1ESRRADRD2 | |
| SCHEMBL8296050 | 0.77 | NPC1 (0.34) | NPC1MAPTSTAT3RAB9AATM | |
| SCHEMBL8302527 | 0.77 | NPC1 (0.34) | NPC1MAPTSTAT3RAB9AATM | |
| SCHEMBL7669115 | 0.73 | CYP3A4 (0.39) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL11188070 | 0.70 | S1PR1 (0.41) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL11185833 | 0.70 | S1PR1 (0.41) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL11185861 | 0.70 | S1PR1 (0.41) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL11179113 | 0.70 | S1PR1 (0.41) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL11187996 | 0.70 | S1PR1 (0.41) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0824520-B1 | 1-FLUOR-5,6,7,8-TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR USE IN LIQUID CRYSTAL MIXTURES | HOECHST AG (DE) | 1999-10-06 | — | — | EP | disclosed |
| US-5942618-A | 3,7-DISUBSTITUTED 1-FLUORO-5,6,7,8-TETRAHYDROISOQUINOLINE DERIVATIVES HAVING EXCELLENT LIGHT, CHEMICAL AND THERMAL STABILITY; COLORLESS IN PURE STATE; USE IN SWITCHING AND/OR DISPLAY DEVICE | HOECHST AKTIENGESELLSCHAFT (DE) | 1999-08-24 | — | — | US | disclosed |
| EP-0824520-A1 | 1-FLUOR-5,6,7,8-TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR USE IN LIQUID CRYSTAL MIXTURES | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-02-25 | — | — | EP | disclosed |
| WO-1996035675-A1 | 1-FLUOR-5,6,7,8-TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR USE IN LIQUID CRYSTAL MIXTURES | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-11-14 | — | — | WO | disclosed |