Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLA2G1B | P04054 | 1/20 | 0.36 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 3/20 | 0.32 |
| ▸ | DRD3 | P35462 | 3/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 2/20 | 0.31 |
| ▸ | DRD4 | P21917 | 2/20 | 0.31 |
| ▸ | DRD5 | P21918 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20956953 | 0.88 | PLA2G1B (0.33) | PLA2G1BPLA2G2AOPRM1CA12CA2 | |
| Methylamine SCHEMBL6867478 | 0.82 | CA12 (0.38) | OPRM1CA12CA2CA1CA14 | |
| SCHEMBL2729745 | 0.82 | HRH3 (0.41) | OPRM1CA12CA2CA1CA14 | |
| SCHEMBL21224483 | 0.82 | HRH3 (0.41) | OPRM1CA12CA2CA1CA14 | |
| SCHEMBL5358 | 0.82 | HRH3 (0.41) | OPRM1CA12CA2CA1CA14 | |
| SCHEMBL11214699 | 0.79 | PLA2G1B (0.37) | PLA2G1BPLA2G2AOPRM1HRH3 | |
| SCHEMBL5420179 | 0.79 | PLA2G1B (0.37) | PLA2G1BPLA2G2AOPRM1CA12CA2 | |
| SCHEMBL17502873 | 0.79 | PLA2G1B (0.37) | PLA2G1BPLA2G2AOPRM1CA12CA2 | |
| Hydrochloric Acid SCHEMBL210163 | 0.78 | HRH3 (0.39) | OPRM1CA12CA2CA1CA14 | |
| Fluoride SCHEMBL64252 | 0.78 | HRH3 (0.39) | OPRM1CA12CA2CA1CA14 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2344487-A1 | HEPATITIS C INHIBITOR COMPOUNDS | Boehringer Ingelheim International GmbH (DE) | 2011-07-20 | — | — | EP | disclosed |
| WO-2010034105-A1 | HEPATITIS C INHIBITOR COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-01 | — | — | WO | disclosed |
| US-4927768-A | INORGANIC OXIDE, INORGANIC CRYSTAL, METAL COMPONENT | UOP (US) | 1990-05-22 | — | — | US | disclosed |
| US-4904518-A | MOISTURE SENSING INORGANIC CRYSTALLINE MOLECULAR SIEVE ELECTROCONDUCTIVE/SEMICONDUCTIVE SUBSTRATE, INORGANIC OXIDE LAYER | UOP (US) | 1990-02-27 | — | — | US | disclosed |
| US-4861739-A | Microporous crystalline composite compositions | UOP (US) | 1989-08-29 | — | — | US | disclosed |
| US-4803185-A | COMPOSITE OF MOLECULAR SIEVE AND N-TYPE ZEOLITE | UOP (US) | 1989-02-07 | — | — | US | disclosed |