Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11061652 | 0.93 | HPGD (0.44) | ESR1HTTHDAC6HPGDALDH1A1 | |
| SCHEMBL11054700 | 0.92 | HDAC6 (0.41) | ESR1HDAC6TDP1L3MBTL1HPGD | |
| SCHEMBL11059255 | 0.90 | ABL1 (0.40) | ESR1HTTHDAC6MAPK14RORC | |
| Hydrochloric Acid SCHEMBL11565511 | 0.90 | GABRG2 (0.36) | TDP1POLBL3MBTL1HPGDALDH1A1 | |
| Hydrochloric Acid SCHEMBL11133882 | 0.89 | ABL1 (0.40) | ESR1HTTHDAC6MAPK14RORC | |
| SCHEMBL11060262 | 0.88 | NR1I2 (0.38) | HTTTDP1POLBTHRBRECQL | |
| SCHEMBL11059343 | 0.87 | HPGD (0.44) | HDAC6POLBHPGDALDH1A1 | |
| SCHEMBL11060091 | 0.86 | ALDH1A1 (0.41) | ESR1HTTTDP1L3MBTL1HPGD | |
| SCHEMBL11053218 | 0.85 | RORC (0.35) | ESR1HDAC6MAPK14RORCALDH1A1 | |
| SCHEMBL11057304 | 0.85 | L3MBTL1 (0.38) | HTTHDAC6TDP1L3MBTL1HPGD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4452980-A | DIARRHEA | WILLIAM H. RORER, INC. (US) | 1984-06-05 | — | — | US | disclosed |
| US-4246409-A | ANTIDIARRHEAL AGENTS | WILLIAM H. RORER, INC. (US) | 1981-01-20 | — | — | US | disclosed |
| US-4225315-A | Triazinones from amidinoureas | WILLIAM H. RORER, INC. (US) | 1980-09-30 | — | — | US | disclosed |
| US-4147804-A | ANTIARRHYTHMIA AGENTS | WILLIAM H. RORER, INC. (US) | 1979-04-03 | — | — | US | disclosed |