Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 3/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.37 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | CA7 | P43166 | 3/20 | 0.37 |
| ▸ | CA9 | Q16790 | 3/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| SCHEMBL9735115 | 0.81 | CYP1A2 (0.41) | CYP1A2TSHRCA12CA1CA2 | |
| SCHEMBL7288909 | 0.73 | CYP1A2 (0.43) | CYP1A2TSHRCA12CA1CA2 | |
| SCHEMBL3010137 | 0.66 | CYP1A2 (0.43) | CYP1A2TSHRCA12CA1CA2 | |
| SCHEMBL11546772 | 0.64 | CYP1A2 (0.39) | CYP1A2TSHRCA12CA1CA2 | |
| SCHEMBL5642066 | 0.63 | CYP1A2 (0.64) | CYP1A2TSHRCA12CA1CA2 | |
| SCHEMBL7563364 | 0.63 | TSHR (0.40) | CYP1A2TSHRCA12CA1CA2 | |
| SCHEMBL47924 | 0.63 | CA12 (0.42) | CYP1A2TSHRCA12CA1CA2 | |
| SCHEMBL3841776 | 0.62 | CYP1A2 (0.43) | CYP1A2TSHRCA12CA1CA2 | |
| SCHEMBL13969442 | 0.62 | TSHR (0.42) | CYP1A2TSHRCA12CA1CA2 | |
| SCHEMBL8860780 | 0.62 | CYP1A2 (0.43) | 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-5132307-A | TETRALIN COMPOUNDS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1992-07-21 | — | — | US | disclosed |