Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 5/20 | 0.37 |
| ▸ | CA1 | P00915 | 5/20 | 0.37 |
| ▸ | CA9 | Q16790 | 5/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL487103 | 0.85 | MEN1 (0.43) | AAK1RXFP1NR1I2POLB | |
| SCHEMBL13569480 | 0.82 | AAK1 (0.38) | AAK1RXFP1CA12CA1CA9 | |
| Methane SCHEMBL7721379 | 0.82 | AAK1 (0.41) | AAK1HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL7721375 | 0.81 | KDM4E (0.43) | AAK1HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL7714050 | 0.81 | CA12 (0.41) | CA12CA1CA9HDAC3HDAC1 | |
| SCHEMBL7709234 | 0.81 | TRPV1 (0.44) | RXFP1CA12CA1CA9BRD9 | |
| SCHEMBL486679 | 0.81 | ALDH1A1 (0.39) | AAK1RXFP1CA12CA1CA9 | |
| SCHEMBL486774 | 0.80 | RXFP1 (0.42) | AAK1RXFP1CA12CA1CA9 | |
| SCHEMBL593484 | 0.77 | RXFP1 (0.62) | AAK1RXFP1BRD9EPHX1POLB | |
| SCHEMBL6771926 | 0.77 | KMT2A (0.48) | — |
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-6441017-B1 | Inhibitors of prenyl-protein transferase | MERCK & CO., INC. | 2002-08-27 | — | — | US | disclosed |
| EP-1214326-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | Merck & Co., Inc. (US) | 2002-06-19 | — | — | EP | disclosed |
| WO-2001018006-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 2001-03-15 | — | — | WO | disclosed |