Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 1/20 | 0.53 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | SRC | P12931 | 1/20 | 0.44 |
| ▸ | CPA1 | P15085 | 2/20 | 0.44 |
| ▸ | CPB1 | P15086 | 1/20 | 0.44 |
| ▸ | CPA3 | P15088 | 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 | |
|---|---|---|---|---|
| Butane SCHEMBL10411229 | 0.94 | GABBR2 (0.48) | GABBR2GABBR1CYP2C19L3MBTL1ALDH1A1 | |
| SCHEMBL377175 | 0.86 | L3MBTL1 (0.61) | GABBR2GABBR1CYP2C19L3MBTL1ALDH1A1 | |
| SCHEMBL29903902 | 0.86 | L3MBTL1 (0.61) | GABBR2GABBR1CYP2C19L3MBTL1ALDH1A1 | |
| SCHEMBL377609 | 0.86 | L3MBTL1 (0.61) | GABBR2GABBR1CYP2C19L3MBTL1ALDH1A1 | |
| SCHEMBL146867 | 0.86 | L3MBTL1 (0.61) | GABBR2GABBR1CYP2C19L3MBTL1ALDH1A1 | |
| SCHEMBL23782080 | 0.84 | L3MBTL1 (0.59) | GABBR2GABBR1CYP2C19L3MBTL1ALDH1A1 | |
| SCHEMBL6739142 | 0.84 | L3MBTL1 (0.59) | GABBR2GABBR1CYP2C19L3MBTL1ALDH1A1 | |
| SCHEMBL5918594 | 0.84 | GABBR2 (0.47) | GABBR2GABBR1CYP2C19L3MBTL1ALDH1A1 | |
| SCHEMBL5918571 | 0.83 | GABBR2 (0.50) | GABBR2GABBR1CYP2C19L3MBTL1ALDH1A1 | |
| SCHEMBL10824820 | 0.83 | GABBR2 (0.50) | GABBR2GABBR1CYP2C19L3MBTL1ALDH1A1 |
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-5093495-A | Benzoheterocyclic compounds | SHELL OIL COMPANY (US) | 1992-03-03 | — | — | US | disclosed |
| US-5071996-A | Benzheterocyclic compounds | SHELL OIL COMPANY (US) | 1991-12-10 | — | — | US | disclosed |