Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.39 |
| ▸ | F2RL3 | Q96RI0 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.37 |
| ▸ | ATXN2 | Q99700 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 4/20 | 0.36 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8118254 | 0.94 | NPC1 (0.43) | CXCR4NPC1RAB9ASIGMAR1PPARA | |
| SCHEMBL8104556 | 0.91 | CXCR4 (0.39) | CXCR4ENPP2ATXN2SIGMAR1PPARA | |
| SCHEMBL4281841 | 0.88 | KMT2A (0.39) | NPC1RAB9ASIGMAR1MEN1KMT2A | |
| SCHEMBL8112899 | 0.84 | CXCR4 (0.39) | CXCR4NPC1RAB9AENPP2ATXN2 | |
| SCHEMBL13705344 | 0.84 | CXCR4 (0.38) | CXCR4NPC1RAB9AENPP2ATXN2 | |
| SCHEMBL8124047 | 0.82 | GPR183 (0.43) | CXCR4NPC1RAB9AENPP2ATXN2 | |
| SCHEMBL8131893 | 0.81 | PARP1 (0.48) | F2RL3NPC1RAB9AMAOB | |
| SCHEMBL13705343 | 0.81 | POLB (0.42) | CXCR4NPC1RAB9AENPP2ATXN2 | |
| SCHEMBL4289860 | 0.81 | GAA (0.41) | NPC1RAB9ASIGMAR1 | |
| SCHEMBL13705349 | 0.81 | GPR183 (0.45) | CXCR4NPC1RAB9AENPP2ATXN2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090227560-A1 | Substituted imidazole compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-09-10 | — | — | US | disclosed |
| US-20090227560-A1 | Substituted imidazole compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-09-10 | — | — | US | disclosed |
| US-20090156612-A1 | Substituted imidazole compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-06-18 | — | — | US | disclosed |
| US-20090156612-A1 | Substituted imidazole compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-06-18 | — | — | US | disclosed |
| WO-2008139941-A1 | SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-11-20 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090156612-A1 | Substituted imidazole compound and use thereof | REN, ACE, AGT | CXCR4 3648/4885F2RL3 2004/4885NPC1 1165/4885 |
| US-20090227560-A1 | Substituted imidazole compound and use thereof | REN, ACE, AGT | CXCR4 3648/4885F2RL3 2004/4885NPC1 1165/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.