Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1L1 | Q9UHC9 | 9/20 | 0.58 |
| ▸ | CCR5 | P51681 | 2/20 | 0.52 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.49 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.46 |
| ▸ | DDR1 | Q08345 | 3/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL17140692 | 0.88 | NPC1L1 (0.58) | NPC1L1CCR5USP30GPR119ATM | |
| SCHEMBL12338068 | 0.85 | OPRM1 (0.59) | NPC1L1CCR5USP30GPR119ATM | |
| SCHEMBL319067 | 0.84 | NPC1L1 (0.55) | NPC1L1CCR5USP30GPR119ATM | |
| SCHEMBL1855447 | 0.84 | NPC1L1 (0.70) | NPC1L1BDKRB2DDR1 | |
| SCHEMBL5563023 | 0.84 | NPC1L1 (0.64) | NPC1L1CCR5BDKRB2DDR1 | |
| SCHEMBL20187112 | 0.83 | DDR1 (0.55) | NPC1L1CCR5USP30GPR119DDR1 | |
| SCHEMBL8892630 | 0.82 | NPC1L1 (0.67) | NPC1L1BDKRB2DDR1 | |
| SCHEMBL5102116 | 0.82 | NPC1L1 (0.62) | NPC1L1CCR5BDKRB2DDR1 | |
| SCHEMBL20187164 | 0.81 | DDR1 (0.56) | NPC1L1CCR5USP30GPR119ATM | |
| SCHEMBL20187070 | 0.81 | NPC1L1 (0.66) | NPC1L1BDKRB2DDR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1087770-A4 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO INC (US) | 2001-11-14 | — | — | EP | disclosed |
| EP-1087770-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | Merck & Co., Inc. (US) | 2001-04-04 | — | — | EP | disclosed |
| US-6172076-B1 | HETEROCYCLE-SUBSTITUTED 1,3,8-TRIAZASPIRO(4,5)DECANE DERIVATIVES; TREATING ARTERIOSCLEROSIS | MERCK & CO., INC. | 2001-01-09 | — | — | US | disclosed |
| WO-1999065494-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 1999-12-23 | — | — | WO | disclosed |