Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 10/20 | 0.31 |
| ▸ | DRD3 | P35462 | 8/20 | 0.31 |
| ▸ | CNR1 | P21554 | 2/20 | 0.31 |
| ▸ | CNR2 | P34972 | 2/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | HTR1D | P28221 | 1/20 | 0.31 |
| ▸ | HTR1B | P28222 | 1/20 | 0.31 |
| ▸ | TAOK3 | Q9H2K8 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.30 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.30 |
| ▸ | HTR3B | O95264 | 1/20 | 0.30 |
| ▸ | HTR3A | P46098 | 1/20 | 0.30 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.30 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.30 |
| ▸ | NR5A1 | Q13285 | 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 | |
|---|---|---|---|---|
| SCHEMBL8305524 | 0.91 | HTR1D (0.33) | GPR84HTR1AHTR1DHTR1BTAOK3 | |
| SCHEMBL8303039 | 0.87 | NR5A1 (0.33) | DRD1DRD3CNR1CNR2TAOK3 | |
| SCHEMBL8298273 | 0.78 | GPR84 (0.34) | GPR84CNR1CNR2TAOK3HTR3E | |
| SCHEMBL8293978 | 0.78 | CNR2 (0.32) | GPR84CNR1CNR2 | |
| SCHEMBL8301428 | 0.70 | THRA (0.34) | GPR84CNR1CNR2TAOK3HTR3E | |
| SCHEMBL8299252 | 0.70 | NR5A1 (0.32) | GPR84CNR1CNR2HTR3EHTR3B | |
| SCHEMBL5722827 | 0.69 | HTR1D (0.33) | DRD1DRD3CNR1CNR2HTR1D | |
| SCHEMBL8296395 | 0.69 | THRA (0.32) | GPR84CNR1CNR2TAOK3 | |
| SCHEMBL8294020 | 0.69 | THRA (0.38) | GPR84CNR1CNR2TAOK3HTR3E | |
| SCHEMBL8305593 | 0.65 | XDH (0.40) | HTR1DHTR1BNR5A1 |
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 2 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 |