Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADAMTS5 | Q9UNA0 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | ALPI | P09923 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | XIAP | P98170 | 1/20 | 0.43 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CPA1 | P15085 | 1/20 | 0.41 |
| ▸ | CPA3 | P15088 | 1/20 | 0.41 |
| ▸ | FOLH1 | Q04609 | 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 | |
|---|---|---|---|---|
| SCHEMBL7422284 | 1.00 | ADAMTS5 (0.48) | ADAMTS5CYP1A2ALPIPKMPTGS1 | |
| SCHEMBL2561591 | 0.86 | TSHR (0.41) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL30441399 | 0.85 | CYP3A4 (0.44) | CYP3A4CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL28471853 | 0.85 | CYP3A4 (0.44) | CYP3A4CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL27848685 | 0.84 | CYP3A4 (0.43) | CYP3A4CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL18762590 | 0.83 | CYP3A4 (0.45) | CYP3A4CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL18762444 | 0.83 | CYP3A4 (0.45) | CYP3A4CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL6367999 | 0.81 | ADAMTS5 (0.48) | ADAMTS5CYP1A2ALPIPKMPTGS1 | |
| SCHEMBL29176144 | 0.79 | ADAMTS5 (0.41) | ADAMTS5CYP1A2ALPIPKMPTGS1 | |
| SCHEMBL29176143 | 0.79 | ADAMTS5 (0.41) | ADAMTS5CYP1A2ALPIPKMPTGS1 |
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 3 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 | disclosed |
| EP-1017382-A1 | BIARYLALKANOIC ACIDS AS CELL ADHESION INHIBITORS | Merck & Co., Inc. (a New Jersey corp.) (US) | 2000-07-12 | — | — | EP | disclosed |
| WO-1998053817-A1 | BIARYLALKANOIC ACIDS AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 1998-12-03 | — | — | WO | disclosed |