Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.69 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | BCHE | P06276 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2203383 | 0.88 | MAPT (0.57) | HRH3MAPT | |
| SCHEMBL1206737 | 0.86 | HRH3 (0.53) | HRH3MAPTBCHE | |
| SCHEMBL1638551 | 0.85 | HRH3 (0.52) | HRH3MAPT | |
| SCHEMBL1205991 | 0.85 | HRH3 (0.51) | HRH3MAPT | |
| SCHEMBL10993324 | 0.84 | MAPT (0.62) | HRH3MAPT | |
| SCHEMBL1206593 | 0.83 | MAPT (0.78) | HRH3MAPTBCHECYP1A2CYP2D6 | |
| SCHEMBL4371629 | 0.82 | HRH3 (0.67) | HRH3MAPT | |
| SCHEMBL4667028 | 0.81 | CARM1 (0.52) | HRH3MAPT | |
| SCHEMBL20287494 | 0.80 | HRH3 (0.72) | HRH3MAPTBCHECYP1A2CYP2D6 | |
| SCHEMBL12510183 | 0.80 | HRH3 (0.46) | HRH3MAPTBCHE |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7833991-B2 | For use as antimetastatic agent or antiviral agent for HIV infection; N-(4-dipropylaminomethylphenyl)-4-{[(1H-imidazol-2-ylmethyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino]-methyl}-benzamide; chemokine receptor CXCR4 antagonists | KUREHA CORPORATION (JP) | 2010-11-16 | — | — | US | disclosed |