Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CPA1 | P15085 | 4/20 | 0.50 |
| ▸ | CPA3 | P15088 | 3/20 | 0.50 |
| ▸ | CPB1 | P15086 | 1/20 | 0.50 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.50 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.46 |
| ▸ | ALPI | P09923 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | XIAP | P98170 | 1/20 | 0.44 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.44 |
| ▸ | MME | P08473 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 2/20 | 0.43 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.42 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.42 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.42 |
| ▸ | ANPEP | P15144 | 1/20 | 0.42 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.42 |
| ▸ | DNPEP | Q9ULA0 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6155724 | 0.86 | CYP1A2 (0.55) | CYP1A2CPA1CPA3CPB1CPB2 | |
| SCHEMBL6154517 | 0.86 | CYP1A2 (0.55) | CYP1A2CPA1CPA3CPB1CPB2 | |
| SCHEMBL6154524 | 0.86 | CYP1A2 (0.55) | CYP1A2CPA1CPA3CPB1CPB2 | |
| SCHEMBL7322467 | 0.82 | CPA1 (0.72) | CYP1A2CPA1CPA3CPB1CPB2 | |
| SCHEMBL7506745 | 0.82 | CYP1A2 (0.59) | CYP1A2CPA1CPA3CPB1CPB2 | |
| SCHEMBL7322470 | 0.82 | CPA1 (0.72) | CYP1A2CPA1CPA3CPB1CPB2 | |
| SCHEMBL27788634 | 0.80 | CYP1A2 (0.52) | CYP1A2CPA1CPA3CPB1CPB2 | |
| SCHEMBL6155921 | 0.79 | CYP1A2 (0.55) | CYP1A2CPA1CPA3CPB1CPB2 | |
| SCHEMBL6154516 | 0.79 | CYP1A2 (0.55) | CYP1A2CPA1CPA3CPB1CPB2 | |
| SCHEMBL6155722 | 0.79 | CYP1A2 (0.55) | CYP1A2CPA1CPA3CPB1CPB2 |
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-5496805-A | DIURETIC, HYPOTENSIVE | E. R. SQUIBB & SONS, INC. (US) | 1996-03-05 | — | — | US | disclosed |