Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR5A1 | Q13285 | 1/20 | 0.32 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 9/20 | 0.31 |
| ▸ | CNR1 | P21554 | 6/20 | 0.31 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.31 |
| ▸ | STS | P08842 | 5/20 | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL8293940 | 0.90 | THRA (0.35) | CNR2CNR1GPR84 | |
| SCHEMBL8293978 | 0.88 | CNR2 (0.32) | CNR2CNR1GPR84 | |
| SCHEMBL8423689 | 0.83 | MAPT (0.30) | — | |
| SCHEMBL8303039 | 0.79 | NR5A1 (0.33) | NR5A1DEGS1CNR2CNR1HTR3E | |
| SCHEMBL8301428 | 0.78 | THRA (0.34) | NR5A1DEGS1CNR2CNR1GPR84 | |
| SCHEMBL8305404 | 0.70 | GPR84 (0.32) | NR5A1CNR2CNR1GPR84HTR3E | |
| SCHEMBL8298273 | 0.69 | GPR84 (0.34) | CNR2CNR1GPR84HTR3EHTR3B | |
| SCHEMBL8301529 | 0.69 | HTR1D (0.36) | NR5A1CNR2CNR1GPR84 | |
| SCHEMBL8299021 | 0.68 | NR5A1 (0.37) | NR5A1DEGS1GPR84 | |
| SCHEMBL8299691 | 0.66 | RAB9A (0.44) | NR5A1DEGS1 |
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-0828716-B1 | TRIFLUORTETRAHYDRO-ISOQUINOLINE DERIVATIVES AND THE USE THEREOF IN LIQUID CRYSTALLINE MIXTURES | AVENTIS RES & TECH GMBH & CO (DE) | 1999-12-01 | — | — | EP | disclosed |
| US-5904877-A | CHEMICAL, THERMAL AND LIGHT STABILITY | HOECHST AKTIENGESELLSCHAFT (DE) | 1999-05-18 | — | — | US | disclosed |