Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.46 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.46 |
| ▸ | SMPD1 | P17405 | 4/20 | 0.45 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.45 |
| ▸ | GHSR | Q92847 | 1/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | AHR | P35869 | 1/20 | 0.42 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.42 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | HTR1B | P28222 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL31006075 | 0.90 | NR5A1 (0.51) | NR5A1CYP1A2CYP2C9CYP2C19HTR1B | |
| SCHEMBL28825823 | 0.90 | NR5A1 (0.51) | NR5A1CYP1A2CYP2C9CYP2C19HTR1B | |
| SCHEMBL28050705 | 0.90 | NR5A1 (0.51) | NR5A1CYP1A2CYP2C9CYP2C19HTR1B | |
| SCHEMBL9011613 | 0.88 | NR5A1 (0.49) | NR5A1CYP1A2CYP2C9CYP2C19HTR1B | |
| SCHEMBL31006077 | 0.84 | CYP1A2 (0.47) | NR5A1CYP1A2CYP2C9CYP2C19NPC1 | |
| SCHEMBL9393775 | 0.83 | SMPD1 (0.51) | SMPD1PDE3BPDE3A | |
| SCHEMBL12485019 | 0.83 | NR5A1 (0.58) | NR5A1CYP1A2CYP2C9CYP2C19HTR1B | |
| SCHEMBL9394813 | 0.83 | SMPD1 (0.51) | SMPD1PDE3BPDE3A | |
| SCHEMBL8974031 | 0.83 | SMPD1 (0.51) | SMPD1PDE3BPDE3A | |
| SCHEMBL12485172 | 0.83 | SMPD1 (0.51) | SMPD1PDE3BPDE3A |
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-0703885-A1 | SYNTHESIS OF SUBSTITUTED TRIPHENYLENES, USEFUL AS DISCOTIC LIQUID CRYSTALS | BRITISH TECHNOLOGY GROUP LTD (GB) | 1996-04-03 | — | — | EP | disclosed |
| WO-1994029243-A1 | SYNTHESIS OF SUBSTITUTED TRIPHENYLENES, USEFUL AS DISCOTIC LIQUID CRYSTALS | BRITISH TECHNOLOGY GROUP LIMITED (GB) | 1994-12-22 | — | — | WO | disclosed |