Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | ACACB | O00763 | 4/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | GRM5 | P41594 | 3/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10398666 | 1.00 | CYP1A2 (0.35) | CYP1A2CYP2E1CYP2A6CYP2B6CYP2C19 | |
| SCHEMBL10398669 | 1.00 | CYP1A2 (0.35) | CYP1A2CYP2E1CYP2A6CYP2B6CYP2C19 | |
| SCHEMBL1914210 | 0.79 | GRM5 (0.39) | CYP1A2CYP2E1CYP2A6CYP2B6CYP2C19 | |
| SCHEMBL10398854 | 0.77 | CYP1A2 (0.58) | CYP1A2CYP2E1CYP2A6CYP2B6CYP2C19 | |
| SCHEMBL10398852 | 0.77 | CYP1A2 (0.58) | CYP1A2CYP2E1CYP2A6CYP2B6CYP2C19 | |
| SCHEMBL10398851 | 0.77 | CYP1A2 (0.58) | CYP1A2CYP2E1CYP2A6CYP2B6CYP2C19 | |
| SCHEMBL5146100 | 0.75 | ACACB (0.35) | ACACBGRM5 | |
| SCHEMBL15903138 | 0.72 | ALDH1A1 (0.42) | CYP2A6L3MBTL1GRM5 | |
| SCHEMBL15633015 | 0.69 | CYP2A6 (0.40) | CYP1A2CYP2E1CYP2A6CYP2B6CYP2C19 | |
| SCHEMBL15903117 | 0.68 | GRM5 (0.36) | CYP1A2CYP2E1CYP2A6CYP2B6CYP2C19 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4975438-A | ANTICOAGULANT | HOFFMANN-LA ROCHE INC. (US) | 1990-12-04 | — | — | US | disclosed |
| US-4927826-A | Cycloproylpropenamides useful as platelet activing factor (PAF) antagonists | HOFFMAN-LA ROCHE INC. (US) | 1990-05-22 | — | — | US | disclosed |
| US-4927838-A | CARDIOVASCULAR DISORDERS | HOFFMAN-LA ROCHE INC. (US) | 1990-05-22 | — | — | US | disclosed |
| US-4916145-A | PLATELET ACTIVATING FACTOR ANTAGONISTS | HOFFMANN-LA ROCHE INC. (US) | 1990-04-10 | — | — | US | disclosed |