Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | TLR4 | O00206 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 2/20 | 0.31 |
| ▸ | NOS2 | P35228 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | S1PR3 | Q99500 | 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 | |
|---|---|---|---|---|
| SCHEMBL18414331 | 1.00 | CYP1A2 (0.34) | CYP1A2TLR4NOS1NOS2CYP3A4 | |
| SCHEMBL18965550 | 0.85 | CYP1A2 (0.32) | CYP1A2CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL12091326 | 0.77 | CES2 (0.33) | CYP1A2TLR4 | |
| SCHEMBL22139465 | 0.77 | CES2 (0.33) | CYP1A2TLR4 | |
| SCHEMBL24248131 | 0.76 | CYP1A2 (0.33) | CYP1A2TLR4 | |
| SCHEMBL24248166 | 0.76 | CYP1A2 (0.35) | CYP1A2TLR4CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL2693722 | 0.75 | CYP1A2 (0.50) | CYP1A2TLR4NOS1NOS2 | |
| SCHEMBL6526063 | 0.75 | CYP1A2 (0.50) | CYP1A2TLR4NOS1NOS2 | |
| SCHEMBL2691363 | 0.73 | CYP1A2 (0.58) | CYP1A2TLR4NOS1NOS2CYP3A4 | |
| SCHEMBL20822308 | 0.72 | CYP1A2 (0.56) | CYP1A2TLR4NOS1NOS2CYP3A4 |
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-3594201-B1 | PROCESS FOR THE PREPARATION OF LUBIPROSTONE AND INTERMEDIATES THEREOF | CHIROGATE INT INC (TW) | 2022-02-16 | — | — | EP | disclosed |
| EP-1981867-B1 | METHOD FOR PREPARING PROSTAGLANDIN DERIVATIVE | R-TECH UENO LTD (JP) | 2017-06-14 | — | — | EP | disclosed |