Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | STAT3 | P40763 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CYP26A1 | O43174 | 4/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.33 |
| ▸ | THRA | P10827 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | ESRRB | O95718 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESRRA | P11474 | 1/20 | 0.33 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | XDH | P47989 | 2/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 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 | |
|---|---|---|---|---|
| SCHEMBL8298256 | 0.87 | THRA (0.46) | NPC1MAPTRAB9ACYP19A1THRA | |
| SCHEMBL8437511 | 0.80 | CYP26A1 (0.36) | CYP26A1CYP19A1ESR2ESRRBESR1 | |
| SCHEMBL8305007 | 0.77 | CYP3A4 (0.39) | NPC1MAPTSTAT3RAB9AATM | |
| SCHEMBL8296050 | 0.76 | NPC1 (0.34) | NPC1MAPTSTAT3RAB9AATM | |
| SCHEMBL8301428 | 0.68 | THRA (0.34) | THRATHRB | |
| SCHEMBL8034977 | 0.67 | CYP19A1 (0.57) | CYP26A1CYP19A1THRATHRBESR2 | |
| SCHEMBL8305593 | 0.65 | XDH (0.40) | NPC1MAPTRAB9ASMN1; SMN2CYP19A1 | |
| SCHEMBL8298273 | 0.64 | GPR84 (0.34) | THRATHRBPPARG | |
| SCHEMBL27919093 | 0.64 | CYP19A1 (0.56) | MAPTSMN1; SMN2CYP19A1THRATHRB | |
| SCHEMBL14033511 | 0.63 | HSP90AA1 (0.48) | NPC1MAPTRAB9ASMN1; SMN2THRA |
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-0824521-B1 | 1-FLUOR-6,7-DIHYDRO-5H-ISOQUINOLINE-8-ONE-DERIVATIVES AND THE USE THEREOF IN LIQUID CRYSTALLINE MIXTURES | AVENTIS RES & TECH GMBH & CO (DE) | 1999-12-01 | — | — | EP | disclosed |
| US-5874023-A | ELECTROOPTICS, DISPLAYS | HOECHST AKTIENGESELLSCHAFT (DE) | 1999-02-23 | — | — | US | disclosed |
| EP-0824521-A1 | 1-FLUOR-6,7-DIHYDRO-5H-ISOQUINOLINE-8-ONE-DERIVATIVES AND THE USE THEREOF IN LIQUID CRYSTALLINE MIXTURES | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-02-25 | — | — | EP | disclosed |
| WO-1996035673-A1 | 1-FLUOR-6,7-DIHYDRO-5H-ISOQUINOLINE-8-ONE-DERIVATIVES AND THE USE THEREOF IN LIQUID CRYSTALLINE MIXTURES | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-11-14 | — | — | WO | disclosed |