Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | ALPI | P09923 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | XIAP | P98170 | 1/20 | 0.46 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.46 |
| ▸ | CPA3 | P15088 | 3/20 | 0.43 |
| ▸ | CPA1 | P15085 | 2/20 | 0.43 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.43 |
| ▸ | CPB1 | P15086 | 1/20 | 0.43 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.43 |
| ▸ | SRR | Q9GZT4 | 2/20 | 0.42 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.42 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.42 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7420130 | 1.00 | CYP1A2 (0.48) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL8403391 | 0.88 | CYP1A2 (0.47) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL7422429 | 0.85 | ALPI (0.49) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL7422432 | 0.85 | ALPI (0.49) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL3963417 | 0.85 | CYP1A2 (0.47) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL1878620 | 0.85 | CYP1A2 (0.47) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL1881896 | 0.85 | CYP1A2 (0.47) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL16858005 | 0.84 | SMPD2 (0.39) | CYP1A2NPSR1ALDH1A1 | |
| SCHEMBL8894219 | 0.80 | CYP1A2 (0.53) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL6285590 | 0.80 | CYP1A2 (0.53) | CYP1A2ALPIPKMPTGS1XIAP |
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-1017382-A4 | BIARYLALKANOIC ACIDS AS CELL ADHESION INHIBITORS | MERCK & CO INC (US) | 2000-08-30 | — | — | EP | claimed |
| EP-1017382-A1 | BIARYLALKANOIC ACIDS AS CELL ADHESION INHIBITORS | Merck & Co., Inc. (a New Jersey corp.) (US) | 2000-07-12 | — | — | EP | claimed |
| WO-1998053817-A1 | BIARYLALKANOIC ACIDS AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 1998-12-03 | — | — | WO | claimed |
| WO-2001012183-A1 | HETEROCYCLE AMIDES AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 2001-02-22 | — | — | WO | disclosed |