Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.52 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.36 |
| ▸ | GNAI3 | P08754 | 2/20 | 0.35 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.35 |
| ▸ | GNAI1 | P63096 | 2/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.35 |
| ▸ | CHKA | P35790 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8405981 | 1.00 | HRH3 (0.52) | HRH3CXCR4MAPTPAOXGNAI3 | |
| SCHEMBL8406001 | 1.00 | HRH3 (0.52) | HRH3CXCR4MAPTPAOXGNAI3 | |
| SCHEMBL8405887 | 1.00 | HRH3 (0.52) | HRH3CXCR4MAPTPAOXGNAI3 | |
| SCHEMBL22380707 | 0.89 | GNAI3 (0.44) | HRH3GNAI3GNAO1GNAI1SIGMAR1 | |
| SCHEMBL19792080 | 0.88 | HRH3 (0.41) | HRH3CXCR4PAOXGNAI3GNAO1 | |
| SCHEMBL15690061 | 0.84 | PAOX (0.48) | HRH3PAOXGNAI3GNAO1GNAI1 | |
| SCHEMBL16677108 | 0.84 | PAOX (0.48) | HRH3PAOXGNAI3GNAO1GNAI1 | |
| SCHEMBL18870142 | 0.84 | PAOX (0.48) | HRH3PAOXGNAI3GNAO1GNAI1 | |
| SCHEMBL18870132 | 0.84 | PAOX (0.48) | HRH3PAOXGNAI3GNAO1GNAI1 | |
| SCHEMBL30221866 | 0.84 | KEAP1 (0.43) | HRH3SIGMAR1CHKA |
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-5874627-A | Process for preparing polyamine derivatives and intermediates thereof | MERRELL PHARMACEUTICALS INC. (US) | 1999-02-23 | — | — | US | disclosed |
| US-5756739-A | Process for preparing polyamine derivative and intermediates thereof | MERRELL PHARMACEUTICALS INC. (US) | 1998-05-26 | — | — | US | disclosed |
| WO-1995009832-A1 | NOVEL PROCESS FOR PREPARING POLYAMINE DERIVATIVES AND INTERMEDIATES THEREOF | MERRELL DOW PHARMACEUTICALS INC. (US) | 1995-04-13 | — | — | WO | disclosed |