Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.36 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27794859 | 0.89 | CYP1A2 (0.44) | CYP1A2TSHRCA12CA1CA2 | |
| SCHEMBL3762225 | 0.85 | CA12 (0.48) | CYP1A2TSHRCA12CA1CA2 | |
| SCHEMBL4352292 | 0.85 | CA12 (0.48) | CYP1A2TSHRCA12CA1CA2 | |
| SCHEMBL28713703 | 0.85 | CYP1A2 (0.53) | CYP1A2TSHRCA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL5476790 | 0.83 | CA12 (0.47) | CYP1A2TSHRCA12CA1CA2 | |
| SCHEMBL8572647 | 0.82 | CA12 (0.46) | CYP1A2TSHRCA12CA1CA2 | |
| SCHEMBL7865580 | 0.81 | CYP1A2 (0.46) | CYP1A2TSHRNR1I2PGRADORA3 | |
| SCHEMBL29740738 | 0.79 | CYP1A2 (0.59) | CYP1A2TSHRCA12CA1CA2 | |
| SCHEMBL7858923 | 0.76 | TSHR (0.46) | CYP1A2TSHRNR1I2PGRADORA3 | |
| SCHEMBL10851453 | 0.76 | APOBEC3A (0.56) | CYP1A2TSHRCA12CA1CA2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4005208-A | GASTRIC JUICE, ANTISECRETORY | SMITHKLINE CORPORATION (US) | 1977-01-25 | — | — | US | disclosed |