Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PGK1 | P00558 | 1/20 | 0.34 |
| ▸ | PGK2 | P07205 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 5/20 | 0.33 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | IDH2 | P48735 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | TDO2 | P48775 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL538930 | 0.83 | TSHR (0.48) | TSHRALDH1A1MAPK1MAPTIDO1 | |
| SCHEMBL11625866 | 0.75 | CA1 (0.52) | TSHRALDH1A1PGK1PGK2PTPN1 | |
| SCHEMBL664647 | 0.75 | HDAC8 (0.42) | ALDH1A1MEN1KMT2AMAPTRAB9A | |
| SCHEMBL9723026 | 0.75 | ALDH1A1 (0.65) | TSHRALDH1A1PGK1PGK2PTPN1 | |
| SCHEMBL2038734 | 0.70 | MAOA (0.44) | ALDH1A1MAPK1MEN1KMT2AHTT | |
| SCHEMBL5450 | 0.69 | — | — | |
| SCHEMBL11628536 | 0.68 | TACR1 (0.45) | TSHRALDH1A1PGK1PGK2MAPK1 | |
| SCHEMBL11622344 | 0.68 | PGK1 (0.42) | TSHRALDH1A1PGK1PGK2PTPN1 | |
| SCHEMBL4117010 | 0.68 | ALDH1A1 (0.55) | TSHRALDH1A1PGK1PGK2PTPN1 | |
| SCHEMBL28802562 | 0.68 | CA4 (0.35) | ALDH1A1CA1CA2CA5ACA9 |
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-4071570-A | ANTIARRHYTHMIC AGENTS | MERCK & CO., INC. (US) | 1978-01-31 | — | — | US | disclosed |
| US-3978127-A | ANTIARRHYTHMIC | MERCK & CO., INC. (US) | 1976-08-31 | — | — | US | disclosed |