Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.46 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.46 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 4/20 | 0.45 |
| ▸ | CA2 | P00918 | 4/20 | 0.45 |
| ▸ | CA4 | P22748 | 4/20 | 0.45 |
| ▸ | CA9 | Q16790 | 4/20 | 0.45 |
| ▸ | ABL1 | P00519 | 1/20 | 0.44 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.42 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL8447382 | 1.00 | SIGMAR1 (0.46) | SIGMAR1NR1H2NR1H3CA1CA2 | |
| SCHEMBL15020096 | 0.93 | NR1H2 (0.47) | SIGMAR1NR1H2NR1H3CA1CA2 | |
| SCHEMBL15020095 | 0.93 | NR1H2 (0.47) | SIGMAR1NR1H2NR1H3CA1CA2 | |
| SCHEMBL8575175 | 0.91 | CA1 (0.49) | SIGMAR1NR1H2NR1H3CA1CA2 | |
| SCHEMBL13705078 | 0.91 | CA1 (0.49) | SIGMAR1NR1H2NR1H3CA1CA2 | |
| SCHEMBL8571416 | 0.89 | NR1H2 (0.44) | SIGMAR1NR1H2NR1H3CA1CA2 | |
| SCHEMBL8229902 | 0.89 | CA1 (0.56) | SIGMAR1NR1H2NR1H3CA1CA2 | |
| SCHEMBL2014666 | 0.89 | CA1 (0.56) | SIGMAR1NR1H2NR1H3CA1CA2 | |
| SCHEMBL4708831 | 0.89 | CA1 (0.56) | SIGMAR1NR1H2NR1H3CA1CA2 | |
| SCHEMBL6975743 | 0.89 | NR1H2 (0.48) | SIGMAR1NR1H2NR1H3CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5856326-A | ANTITUMOR, ANTICANCER AGENTS | MERCK & CO., INC. (US) | 1999-01-05 | — | — | US | disclosed |
| US-5736539-A | ANITCARCINOGENIC AGENTS | MERCK & CO., INC. (US) | 1998-04-07 | — | — | US | disclosed |
| WO-1996030343-A1 | INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 1996-10-03 | — | — | WO | disclosed |
| WO-1995000497-A1 | INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 1995-01-05 | — | — | WO | disclosed |