Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.53 |
| ▸ | CES1 | P23141 | 1/20 | 0.53 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.44 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9523136 | 1.00 | CES2 (0.53) | CES2CES1GPR52NPC1RAB9A | |
| SCHEMBL9521346 | 0.96 | CA1 (0.49) | CES2CES1GPR52NPC1RAB9A | |
| SCHEMBL9519841 | 0.88 | MTNR1A (0.55) | CES2CES1GPR52NPC1RAB9A | |
| SCHEMBL9522756 | 0.88 | MTNR1A (0.55) | CES2CES1GPR52NPC1RAB9A | |
| SCHEMBL9520702 | 0.88 | TBXAS1 (0.61) | KMT2APTAFRTBXAS1 | |
| SCHEMBL9519210 | 0.88 | TBXAS1 (0.61) | KMT2APTAFRTBXAS1 | |
| SCHEMBL9521080 | 0.87 | MAOB (0.45) | CES2CES1GPR52NPC1RAB9A | |
| SCHEMBL9521134 | 0.87 | MAOB (0.45) | CES2CES1GPR52NPC1RAB9A | |
| SCHEMBL9521627 | 0.86 | PAM (0.50) | CES2CES1KMT2AMAPTMEN1 | |
| SCHEMBL9520140 | 0.86 | PAM (0.50) | CES2CES1KMT2AMAPTMEN1 |
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-0299379-B1 | PENTADIENAMIDE PAF-ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 1993-04-21 | — | — | EP | disclosed |
| EP-0299379-A1 | Pentadienamide PAF-antagonists | F. HOFFMANN-LA ROCHE AG (CH) | 1989-01-18 | — | — | EP | disclosed |