Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.59 |
| ▸ | CES1 | P23141 | 2/20 | 0.59 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.49 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.49 |
| ▸ | BCHE | P06276 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.49 |
| ▸ | RELA | Q04206 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL9522133 | 1.00 | CES2 (0.59) | CES2CES1MAPTALDH1A1KDM4E | |
| SCHEMBL9522139 | 1.00 | CES2 (0.59) | CES2CES1MAPTALDH1A1KDM4E | |
| SCHEMBL8564034 | 0.93 | ALDH1A1 (0.57) | CES2CES1MAPTALDH1A1KDM4E | |
| SCHEMBL7056287 | 0.89 | CES2 (0.62) | CES2CES1MAPTALDH1A1KDM4E | |
| SCHEMBL9520429 | 0.85 | MTNR1A (0.57) | CES2CES1ALDH1A1MEN1MAOB | |
| SCHEMBL9520437 | 0.85 | MTNR1A (0.57) | CES2CES1ALDH1A1MEN1MAOB | |
| SCHEMBL9520444 | 0.85 | MTNR1A (0.57) | CES2CES1ALDH1A1MEN1MAOB | |
| SCHEMBL24495087 | 0.84 | NFE2L2 (0.50) | CES2CES1MAPTALDH1A1KDM4E | |
| SCHEMBL9522620 | 0.83 | TBXAS1 (0.58) | ALDH1A1KDM4EKMT2ACYP1B1NPC1 | |
| SCHEMBL9519338 | 0.83 | TBXAS1 (0.58) | ALDH1A1KDM4EKMT2ACYP1B1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0299379-B1 | PENTADIENAMIDE PAF-ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 1993-04-21 | — | — | EP | disclosed |
| US-4975438-A | ANTICOAGULANT | HOFFMANN-LA ROCHE INC. (US) | 1990-12-04 | — | — | US | disclosed |
| EP-0299379-A1 | Pentadienamide PAF-antagonists | F. HOFFMANN-LA ROCHE AG (CH) | 1989-01-18 | — | — | EP | disclosed |
| US-4788206-A | CARDIOVASCULAR DISORDERS, PLATELETS | HOFFMANN-LA ROCHE INC. (US) | 1988-11-29 | — | — | US | disclosed |