Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | CA4 | P22748 | 1/20 | 0.51 |
| ▸ | CA6 | P23280 | 1/20 | 0.51 |
| ▸ | CA7 | P43166 | 1/20 | 0.51 |
| ▸ | TPMT | P51580 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.47 |
| ▸ | PDE5A | O76074 | 1/20 | 0.47 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8086134 | 1.00 | CA12 (0.51) | CA12CA1CA2CA4CA6 | |
| SCHEMBL29139760 | 0.83 | ALDH1A1 (0.45) | TSHRPLA2G4BALDH1A1HPGD | |
| SCHEMBL27986574 | 0.83 | PDE5A (0.49) | TSHRPLA2G4BPDE5AALDH1A1 | |
| SCHEMBL11128770 | 0.82 | TDP1 (0.50) | TSHRABCG2ALDH1A1CAPN1 | |
| SCHEMBL4449086 | 0.78 | GAA (0.46) | PDE5AALDH1A1LTA4H | |
| SCHEMBL30585894 | 0.78 | F7 (0.46) | TSHRPLA2G4BPDE5A | |
| SCHEMBL11181674 | 0.78 | PTPN11 (0.46) | TSHRPLA2G4BPDE5A | |
| SCHEMBL7973277 | 0.76 | KDM4E (0.48) | CA12CA1CA2CA4CA6 | |
| SCHEMBL5955075 | 0.75 | LTA4H (0.53) | PDE5ALTA4H | |
| SCHEMBL2787514 | 0.74 | RARB (0.47) | TSHRPLA2G4BPDE5AALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6017919-A | Compounds and pharmaceutical use thereof | JAPAN TOBACCO INC. (JP) | 2000-01-25 | — | — | US | disclosed |
| EP-0887340-A1 | NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF | Japan Tobacco Inc. (JP) | 1998-12-30 | — | — | EP | disclosed |