Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.52 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.48 |
| ▸ | SRR | Q9GZT4 | 2/20 | 0.48 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.48 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.48 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.48 |
| ▸ | ALPI | P09923 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | XIAP | P98170 | 1/20 | 0.48 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL5678777 | 1.00 | EPHX1 (0.52) | EPHX1TRPA1SRRSLC1A3SLC1A2 | |
| SCHEMBL194646 | 1.00 | EPHX1 (0.52) | EPHX1TRPA1SRRSLC1A3SLC1A2 | |
| Hydrochloric Acid SCHEMBL7814124 | 0.98 | SRR (0.50) | EPHX1TRPA1SRRSLC1A3SLC1A2 | |
| Sulfuric Acid SCHEMBL5465230 | 0.90 | TRPA1 (0.46) | EPHX1TRPA1SRRSLC1A3SLC1A2 | |
| SCHEMBL1833635 | 0.85 | TRPA1 (0.55) | EPHX1TRPA1SRRALPIPKM | |
| SCHEMBL11387865 | 0.82 | SLC6A4 (0.59) | EPHX1TRPA1SRRSLC1A3SLC1A2 | |
| SCHEMBL25152953 | 0.82 | MAOB (0.60) | PTGS1SLC6A2MAOASLC6A3CYP1A2 | |
| SCHEMBL29162424 | 0.82 | MAOB (0.60) | PTGS1SLC6A2MAOASLC6A3CYP1A2 | |
| Ammonia Solution, Strong SCHEMBL29021310 | 0.82 | TRPA1 (0.53) | EPHX1TRPA1SRRALPIPKM | |
| SCHEMBL8357017 | 0.82 | EPHX1 (0.48) | EPHX1TRPA1SRRALPIPKM |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116601158-A | Modulators of cystic fibrosis transmembrane conductance regulator | 弗特克斯药品有限公司 | 2023-08-15 | — | — | CN | disclosed |
| WO-2022076622-A2 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |
| EP-0914332-B1 | ISOQUINOLINES USEFUL AS ANALGESICS | ASTRAZENECA AB (SE) | 2002-05-08 | — | — | EP | disclosed |
| US-6034097-A | Isoquinolines useful as analgesics | ASTRA AB (SE) | 2000-03-07 | — | — | US | disclosed |
| EP-0914332-A1 | ISOQUINOLINES USEFUL AS ANALGESICS | Astra Aktiebolag (SE) | 1999-05-12 | — | — | EP | disclosed |
| CN-1211990-A | Isoquinolines useful as analgesics | ASTRA AB (SE) | 1999-03-24 | — | — | CN | disclosed |
| WO-1997031940-A1 | ISOQUINOLINES USEFUL AS ANALGESICS | ASTRA AKTIEBOLAG (SE) | 1997-09-04 | — | — | WO | disclosed |