Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.70 |
| ▸ | CCR8 | P51685 | 1/20 | 0.70 |
| ▸ | METAP2 | P50579 | 1/20 | 0.48 |
| ▸ | NOS2 | P35228 | 4/20 | 0.47 |
| ▸ | NOS1 | P29475 | 3/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | IRAK4 | Q9NWZ3 | 3/20 | 0.41 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14732969 | 0.92 | CCR1 (0.64) | CCR1CCR8METAP2NOS2NOS1 | |
| SCHEMBL14224576 | 0.90 | CCR1 (0.61) | CCR1CCR8METAP2NOS2NOS1 | |
| SCHEMBL227749 | 0.87 | CCR1 (0.57) | CCR1CCR8METAP2NOS2NOS1 | |
| SCHEMBL24916774 | 0.86 | CCR1 (0.52) | CCR1CCR8NOS2NOS1KCNH2 | |
| SCHEMBL30201993 | 0.86 | CCR1 (0.52) | CCR1CCR8NOS2NOS1KCNH2 | |
| SCHEMBL14085152 | 0.85 | CCR1 (0.67) | CCR1CCR8METAP2NOS2NOS1 | |
| SCHEMBL10144469 | 0.84 | KCNH2 (0.54) | CCR1CCR8NOS2NOS1KCNH2 | |
| SCHEMBL10894853 | 0.83 | CCR1 (0.64) | CCR1CCR8METAP2NOS2NOS1 | |
| SCHEMBL196966 | 0.83 | CCR1 (1.00) | CCR1CCR8METAP2NOS2CYP2A6 | |
| SCHEMBL8908397 | 0.83 | CCR1 (0.64) | CCR1CCR8METAP2NOS2NOS1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6187928-B1 | TREATING FUNGAL DISEASES | THE ROCKEFELLER UNIVERSITY | 2001-02-13 | — | — | US | disclosed |
| US-6087510-A | Method of use of imidazolium cations | THE ROCKEFELLER UNIVERSITY (US) | 2000-07-11 | — | — | US | disclosed |
| US-5969150-A | FLUORESCENT COMPOUNDS FOR MEDICAL DIAGNOSIS, DRUGS AND LABELS OR FUNGICIDES AND VIRICIDES | THE ROCKEFELLER UNIVERSITY (US) | 1999-10-19 | — | — | US | disclosed |
| US-5874587-A | FLUORESCENCE | THE ROCKEFELLER UNIVERSITY (US) | 1999-02-23 | — | — | US | disclosed |