Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPS1 | P31327 | 14/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | CCR3 | P51677 | 2/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | JAK3 | P52333 | 1/20 | 0.34 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL5847121 | 0.90 | CCR3 (0.35) | HTR2AHTR2CHTR2BRORCCCR3 | |
| SCHEMBL5847800 | 0.90 | HTR2A (0.44) | HTR2AHTR2CHTR2BCCR3ESR1 | |
| SCHEMBL5847193 | 0.90 | CCR3 (0.35) | HTR2AHTR2CHTR2BCCR3ESR1 | |
| SCHEMBL5847324 | 0.89 | CCR3 (0.34) | HTR2AHTR2CHTR2BRORCCCR3 | |
| SCHEMBL5846973 | 0.88 | CCR3 (0.34) | HTR2AHTR2CHTR2BRORCCCR3 | |
| SCHEMBL5848064 | 0.88 | DPP4 (0.36) | CCR3 | |
| SCHEMBL5849356 | 0.84 | CCR3 (0.30) | CCR3 | |
| SCHEMBL5847913 | 0.82 | ABCB1 (0.35) | HTR2CCCR3 | |
| SCHEMBL5847475 | 0.82 | S1PR1 (0.37) | HTR2AHTR2CHTR2B | |
| SCHEMBL5847854 | 0.82 | HCRTR1 (0.36) | HTR2AHTR2CCCR3 |
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-7081455-B2 | Substituted heterocycle fused gamma-carbolines | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-07-25 | — | — | US | disclosed |