Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.36 |
| ▸ | RAB9A | P51151 | 4/20 | 0.36 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | SLC9A1 | P19634 | 3/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
| ▸ | GRK6 | P43250 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | CDC7 | O00311 | 1/20 | 0.32 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.31 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.31 |
| ▸ | DHODH | Q02127 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | BLVRB | P30043 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14600754 | 0.83 | HPGD (0.42) | NPC1RAB9ACCNE2CCNE1CDK2 | |
| SCHEMBL14600758 | 0.79 | GSK3B (0.41) | NPC1RAB9A | |
| SCHEMBL14286128 | 0.77 | CCNC (0.41) | NPC1RAB9ACCNE2CCNE1CDK2 | |
| SCHEMBL14600757 | 0.76 | ALDH1A1 (0.44) | NPC1RAB9A | |
| SCHEMBL14600755 | 0.66 | BCAT1 (0.41) | NPC1RAB9ACCNE2CCNE1CDK2 | |
| SCHEMBL7438138 | 0.66 | HPGDS (0.54) | CDK2SLC9A1PARP1CDC7PIM1 | |
| SCHEMBL14600775 | 0.65 | BCAT1 (0.39) | RAB9ACCNE2CCNE1CDK2SLC9A1 | |
| SCHEMBL4243696 | 0.63 | MAP2K3 (0.47) | NPC1RAB9APARP1DHODH | |
| SCHEMBL14564382 | 0.61 | DHODH (0.50) | CDK2PARP1CDC7PIM1PIM3 | |
| SCHEMBL15059858 | 0.61 | NPC1 (0.55) | NPC1RAB9ASLC9A1PARP1JAK2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7169800-B2 | Imidazole compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-01-30 | — | — | US | disclosed |
| US-7169800-B2 | Imidazole compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-01-30 | — | — | US | disclosed |