Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 6/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TYR | P14679 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 3/20 | 0.32 |
| ▸ | BCHE | P06276 | 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 | |
|---|---|---|---|---|
| SCHEMBL9355021 | 0.99 | S1PR1 (0.40) | S1PR1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL9351082 | 0.96 | CYP3A4 (0.38) | S1PR1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL9355443 | 0.96 | S1PR1 (0.37) | S1PR1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL9350986 | 0.96 | CYP3A4 (0.40) | S1PR1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL9351621 | 0.96 | CYP3A4 (0.40) | S1PR1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL9351639 | 0.96 | S1PR1 (0.36) | S1PR1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL9355330 | 0.94 | CYP3A4 (0.40) | S1PR1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL9350840 | 0.93 | S1PR3 (0.39) | S1PR1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL9355540 | 0.92 | CYP3A4 (0.40) | S1PR1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL9351041 | 0.92 | S1PR3 (0.35) | S1PR1CYP3A4CYP2C8CYP2D6CYP2C9 |
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-0410756-B1 | Cyclohexenylethane compounds | CHISSO CORP (JP) | 1994-09-14 | — | — | EP | disclosed |
| US-5064565-A | Liquid crystals | CHISSO CORPORATION (JP) | 1991-11-12 | — | — | US | disclosed |