Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APLNR | P35414 | 2/20 | 0.47 |
| ▸ | CXCR2 | P25025 | 6/20 | 0.40 |
| ▸ | HTR6 | P50406 | 2/20 | 0.40 |
| ▸ | HTR2C | P28335 | 3/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | CX3CR1 | P49238 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10800269 | 0.98 | APLNR (0.46) | APLNRCXCR2HTR6HTR2CHTR2A | |
| SCHEMBL28243003 | 0.90 | HTR6 (0.44) | CXCR2HTR6HTR2CHTR2AKCNH2 | |
| SCHEMBL20002842 | 0.90 | HTR6 (0.44) | CXCR2HTR6HTR2CHTR2AKCNH2 | |
| Maleic Acid SCHEMBL10794615 | 0.89 | CXCR2 (0.39) | APLNRCXCR2HTR2CHTR2AKCNH2 | |
| Fumaric Acid SCHEMBL10794631 | 0.89 | CXCR2 (0.39) | APLNRCXCR2HTR2CHTR2AKCNH2 | |
| SCHEMBL4114305 | 0.87 | CYP2D6 (0.41) | APLNRCXCR2CX3CR1 | |
| SCHEMBL10794767 | 0.84 | APLNR (0.47) | APLNRCXCR2CX3CR1PTGS2 | |
| SCHEMBL10794469 | 0.84 | APLNR (0.47) | APLNRCXCR2HTR6CX3CR1 | |
| SCHEMBL10795010 | 0.84 | APLNR (0.47) | APLNRCXCR2HTR6MMP2 | |
| SCHEMBL10795117 | 0.84 | APLNR (0.47) | APLNRCXCR2HTR6CX3CR1 |
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-4642348-A | ANTIARRHYTHMIA AGENTS | A. H. ROBINS COMPANY, INCORPORATED (US) | 1987-02-10 | — | — | US | claimed |
| US-4642348-A | ANTIARRHYTHMIA AGENTS | A. H. ROBINS COMPANY, INCORPORATED (US) | 1987-02-10 | — | — | US | disclosed |
| US-4593102-A | N-[(amino)alkyl]-1-pyrrolidine, 1-piperidine and 1-homopiperidinecarboxamides (and thiocarboxamides) with sulfur linked substitution in the 2, 3 or 4-position | A. H. ROBINS COMPANY, INC. (US) | 1986-06-03 | — | — | US | disclosed |