Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APLNR | P35414 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CXCR2 | P25025 | 6/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 SCHEMBL10799346 | 0.98 | APLNR (0.46) | APLNRMAPK1HTTCXCR2MMP2 | |
| SCHEMBL10794767 | 0.84 | APLNR (0.47) | APLNRCXCR2MMP1MMP8MMP13 | |
| SCHEMBL10795117 | 0.84 | APLNR (0.47) | APLNRMAPK1CXCR2HTR6ALDH1A1 | |
| SCHEMBL10799201 | 0.84 | APLNR (0.47) | APLNRCXCR2MMP2HTR6 | |
| SCHEMBL10795613 | 0.84 | APLNR (0.47) | APLNRCXCR2HTR6MMP1MMP8 | |
| SCHEMBL10794469 | 0.84 | APLNR (0.47) | APLNRCXCR2HTR6MMP1MMP8 | |
| SCHEMBL711807 | 0.83 | APLNR (0.50) | APLNRCXCR2HTR6MMP1MMP8 | |
| SCHEMBL24111158 | 0.83 | CA2 (0.43) | MAPK1HTTMMP2CA2MMP1 | |
| Hydrochloric Acid SCHEMBL10800269 | 0.83 | APLNR (0.46) | APLNRCXCR2HTR6 | |
| Hydrochloric Acid SCHEMBL10800151 | 0.83 | APLNR (0.46) | APLNRCXCR2HTR6MMP1MMP8 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2776419-B1 | PYRAZINE COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMA (US) | 2016-05-11 | — | — | EP | disclosed |
| 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 |
| EP-0160436-A2 | N-[(Amino)Alkyl]-1-pyrrolidine, 1-piperidine and 1-homopiperidinecarboxamides (and thiocarboxamides) with sulphur linked substitution in the 2, 3 or 4-position | A.H. ROBINS COMPANY, INCORPORATED (US) | 1985-11-06 | — | — | EP | disclosed |