Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | OXER1 | Q8TDS5 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.37 |
| ▸ | RXRA | P19793 | 2/20 | 0.37 |
| ▸ | PPARG | P37231 | 2/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | F7 | P08709 | 2/20 | 0.35 |
| ▸ | F3 | P13726 | 2/20 | 0.35 |
| ▸ | PPARA | Q07869 | 2/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11117064 | 0.78 | CYP2C19 (0.49) | CYP2D6EPHX2ALDH1A1OXER1MAPT | |
| SCHEMBL1716761 | 0.78 | CYP2C19 (0.49) | CYP2D6EPHX2ALDH1A1OXER1MAPT | |
| SCHEMBL1716759 | 0.78 | CYP2C19 (0.49) | CYP2D6EPHX2ALDH1A1OXER1MAPT | |
| SCHEMBL29175552 | 0.77 | CYP2D6 (0.59) | CYP2D6KMT2ACES2CES1SRC | |
| SCHEMBL11062769 | 0.77 | CYP2D6 (0.43) | CYP2D6EPHX2ALDH1A1KMT2ACES2 | |
| Docosapentaenoic Acid SCHEMBL7826028 | 0.72 | ALDH1A1 (0.68) | EPHX2ALDH1A1OXER1MAPTKMT2A | |
| SCHEMBL28704727 | 0.71 | POLB (0.50) | CYP2D6ALDH1A1CYP1A2CYP3A4LMNA | |
| SCHEMBL6928833 | 0.71 | ALDH1A1 (0.40) | EPHX2ALDH1A1OXER1MAPTKMT2A | |
| SCHEMBL10533515 | 0.69 | CYP2C19 (0.49) | CYP2D6ALDH1A1SRCCYP2C19CYP1A2 | |
| SCHEMBL29009892 | 0.69 | CYP2D6 (0.52) | CYP2D6KMT2ACES2CES1SRC |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4281019-A | 4-[(Unsaturated or cyclopropylated alkyl)amino]phenyl compounds useful as hypolipidemic and antiatherosclerotic agents | AMERICAN CYANAMID COMPANY (US) | 1981-07-28 | — | — | US | disclosed |