Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.56 |
| ▸ | CES1 | P23141 | 1/20 | 0.56 |
| ▸ | MAOB | P27338 | 1/20 | 0.54 |
| ▸ | PARP1 | P09874 | 1/20 | 0.53 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.51 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.51 |
| ▸ | PTAFR | P25105 | 3/20 | 0.50 |
| ▸ | BCHE | P06276 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | PDE4A | P27815 | 1/20 | 0.49 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.49 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.49 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.49 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL10399232 | 1.00 | CES2 (0.56) | CES2CES1MAOBPARP1ABCG2 | |
| SCHEMBL10399231 | 1.00 | CES2 (0.56) | CES2CES1MAOBPARP1ABCG2 | |
| SCHEMBL10398652 | 0.97 | MTNR1A (0.55) | CES2CES1MAOBPARP1ABCG2 | |
| SCHEMBL10398651 | 0.97 | MTNR1A (0.55) | CES2CES1MAOBPARP1ABCG2 | |
| SCHEMBL10398653 | 0.97 | MTNR1A (0.55) | CES2CES1MAOBPARP1ABCG2 | |
| SCHEMBL10399055 | 0.92 | NPC1 (0.58) | CES2CES1MAOBPARP1ABCG2 | |
| SCHEMBL10399056 | 0.92 | NPC1 (0.58) | CES2CES1MAOBPARP1ABCG2 | |
| SCHEMBL10399058 | 0.92 | NPC1 (0.58) | CES2CES1MAOBPARP1ABCG2 | |
| SCHEMBL3942276 | 0.88 | CYP1A1 (0.48) | CES2CES1MAOBPARP1ABCG2 | |
| SCHEMBL3942285 | 0.88 | CYP1A1 (0.48) | CES2CES1MAOBPARP1ABCG2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4975438-A | ANTICOAGULANT | HOFFMANN-LA ROCHE INC. (US) | 1990-12-04 | — | — | US | disclosed |
| US-4788206-A | CARDIOVASCULAR DISORDERS, PLATELETS | HOFFMANN-LA ROCHE INC. (US) | 1988-11-29 | — | — | US | disclosed |