Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 2/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17235867 | 0.85 | NR3C1 (0.42) | BRD4HDAC4HDAC7HDAC5CES2 | |
| SCHEMBL2899790 | 0.84 | CA1 (0.41) | TSHRHIF1A | |
| SCHEMBL1347206 | 0.79 | MDM2 (0.49) | TSHRMAPK1HIF1ATDP1PPARG | |
| SCHEMBL17235718 | 0.77 | HDAC4 (0.44) | BRD4HDAC4HDAC7HDAC5CES2 | |
| SCHEMBL20157869 | 0.76 | PSEN1 (0.38) | TSHRHDAC4HDAC7HDAC5CES2 | |
| SCHEMBL1426754 | 0.76 | TSHR (0.50) | TSHRMAPK1HIF1ATDP1BRD4 | |
| SCHEMBL7984220 | 0.75 | S1PR3 (0.56) | S1PR3S1PR1 | |
| SCHEMBL1349994 | 0.74 | TSHR (0.42) | NPC1RAB9ATSHRMAPK1HIF1A | |
| SCHEMBL1980176 | 0.74 | CNR1 (0.47) | TSHRMAPK1HIF1ATDP1HDAC4 | |
| SCHEMBL118511 | 0.74 | — | — |
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 |