Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.54 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | ACP3 | P15309 | 2/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.43 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 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 | |
|---|---|---|---|---|
| SCHEMBL16683785 | 1.00 | PTGS2 (0.54) | PTGS2CHRNB2CHRNA4ALDH1A1ACP3 | |
| SCHEMBL8062048 | 0.84 | — | — | |
| SCHEMBL687143 | 0.84 | — | — | |
| SCHEMBL3431371 | 0.84 | — | — | |
| Phosphine SCHEMBL10775378 | 0.81 | CYP2D6 (0.48) | ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL21800793 | 0.81 | TAAR1 (0.44) | ALDH1A1 | |
| SCHEMBL2857448 | 0.81 | ESR1 (0.38) | — | |
| SCHEMBL40528 | 0.79 | PTGS2 (0.58) | PTGS2CHRNB2CHRNA4ALDH1A1ACP3 | |
| SCHEMBL20833031 | 0.79 | PTGS2 (0.58) | PTGS2CHRNB2CHRNA4ALDH1A1ACP3 | |
| SCHEMBL5464381 | 0.79 | PTGS2 (0.58) | PTGS2CHRNB2CHRNA4ALDH1A1ACP3 |
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 |
|---|---|---|---|---|---|---|---|
| US-6297239-B1 | Inhibitors of prenyl-protein transferase | MERCK & CO., INC. | 2001-10-02 | — | — | US | disclosed |
| EP-1021188-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | Merck & Co., Inc. (US) | 2000-07-26 | — | — | EP | disclosed |
| WO-1999017777-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 1999-04-15 | — | — | WO | disclosed |