Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR1 | P25024 | 16/20 | 0.79 |
| ▸ | CXCR2 | P25025 | 16/20 | 0.79 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.51 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL5846277 | 0.88 | CXCR1 (1.00) | CXCR1CXCR2P4HTMGABRA5ALDH1A1 | |
| SCHEMBL5659634 | 0.86 | CXCR1 (0.58) | CXCR1CXCR2P4HTMALDH1A1 | |
| SCHEMBL5847552 | 0.85 | CXCR1 (0.80) | CXCR1CXCR2P4HTMGABRA5ALDH1A1 | |
| SCHEMBL5846287 | 0.85 | CXCR1 (1.00) | CXCR1CXCR2P4HTMGABRA5ALDH1A1 | |
| SCHEMBL5847588 | 0.83 | CXCR1 (0.83) | CXCR1CXCR2GABRA5 | |
| SCHEMBL5846254 | 0.83 | CXCR2 (0.78) | CXCR1CXCR2P4HTMGABRA5 | |
| SCHEMBL5846984 | 0.82 | CXCR1 (1.00) | CXCR1CXCR2P4HTM | |
| SCHEMBL5846584 | 0.81 | CXCR2 (0.64) | CXCR1CXCR2P4HTMGABRA5 | |
| SCHEMBL5845966 | 0.81 | CXCR1 (0.80) | CXCR1CXCR2 | |
| SCHEMBL5845511 | 0.81 | CXCR2 (1.00) | CXCR1CXCR2P4HTMGABRA5 |
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-7151112-B1 | Pharmaceutical uses and synthesis of nicotinamides | UCB SA (GB) | 2006-12-19 | — | — | US | disclosed |
| US-6777432-B1 | TREATING A SUBJECT HAVING AN INFLAMMATORY DISORDER ALLEVIATED BY THE INHIBITION OF GRO- ALPHA CYTOKINES | DARWIN MOLECULAR CORPORATION | 2004-08-17 | — | — | US | disclosed |