Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPA1 | P15085 | 9/20 | 0.72 |
| ▸ | CPA3 | P15088 | 3/20 | 0.72 |
| ▸ | CPB1 | P15086 | 1/20 | 0.72 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.72 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.70 |
| ▸ | MME | P08473 | 1/20 | 0.62 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.61 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.61 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.61 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.61 |
| ▸ | ANPEP | P15144 | 1/20 | 0.58 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.58 |
| ▸ | DNPEP | Q9ULA0 | 1/20 | 0.58 |
| ▸ | ALPI | P09923 | 1/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.55 |
| ▸ | XIAP | P98170 | 1/20 | 0.55 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL5607914 | 0.89 | CYP1A2 (0.59) | CPA1CPA3CPB1CPB2CYP1A2 | |
| SCHEMBL21758201 | 0.85 | CYP1A2 (0.55) | CPA1CPA3CPB1CPB2CYP1A2 | |
| SCHEMBL1915564 | 0.84 | CPA1 (1.00) | CPA1CPA3CPB1CPB2CYP1A2 | |
| SCHEMBL5688996 | 0.84 | CPA1 (1.00) | CPA1CPA3CPB1CPB2CYP1A2 | |
| SCHEMBL393002 | 0.84 | CPA1 (1.00) | CPA1CPA3CPB1CPB2CYP1A2 | |
| SCHEMBL30902664 | 0.84 | CPA1 (0.51) | CPA1CPA3CPB1CPB2CYP1A2 | |
| SCHEMBL4664822 | 0.83 | CYP1A2 (1.00) | CPA1CPA3CPB1CPB2CYP1A2 | |
| SCHEMBL17799165 | 0.83 | CPA1 (0.72) | CPA1CPA3CPB1CPB2CYP1A2 | |
| SCHEMBL3421012 | 0.82 | CPA1 (0.96) | CPA1CPA3CPB1CPB2CYP1A2 | |
| SCHEMBL17948789 | 0.81 | CPA1 (0.70) | CPA1CPA3CPB1CPB2CYP1A2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0717737-A1 | CHELANTS AS CONTRAST ENHANCING AGENTS | NYCOMED SALUTAR, INC. (US) | 1996-06-26 | — | — | EP | claimed |
| WO-1995007270-A1 | CHELANTS AS CONTRAST ENHANCING AGENTS | NYCOMED SALUTAR, INC. (US) | 1995-03-16 | — | — | WO | claimed |
| US-4198413-A | HYPOTENSIVE AGENTS | MERCK & CO., INC. (US) | 1980-04-15 | — | — | US | disclosed |
| US-4143146-A | HYPOTENSIVE AGENTS | MERCK & CO., INC. (US) | 1979-03-06 | — | — | US | disclosed |
| US-4058530-A | PHENYLALANINE, ANTIHYPERTENSIVE | MERCK & CO., INC. (US) | 1977-11-15 | — | — | US | disclosed |
| US-4051169-A | HYPOTENSIVE AGENTS | MERCK & CO., INC. (US) | 1977-09-27 | — | — | US | disclosed |
| US-4038411-A | ANTIHYPERTENSIVE AMINO ACID ESTERS | MERCK & CO., INC. (US) | 1977-07-26 | — | — | US | disclosed |
| US-3983138-A | HYPOTENSIVES | MERCK & CO., INC. (US) | 1976-09-28 | — | — | US | disclosed |