Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NAAA | Q02083 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11056672 | 0.96 | POLB (0.41) | TDP1ALDH1A1TP53CYP3A4POLB | |
| SCHEMBL11056468 | 0.95 | POLB (0.41) | TDP1ALDH1A1POLBNAAAMEN1 | |
| SCHEMBL11060091 | 0.91 | ALDH1A1 (0.41) | TDP1ALDH1A1TP53CYP3A4MEN1 | |
| Hydrochloric Acid SCHEMBL11556716 | 0.91 | NAAA (0.40) | ALDH1A1NAAAMEN1KMT2ANPSR1 | |
| SCHEMBL11053069 | 0.91 | POLB (0.45) | TDP1ALDH1A1TP53POLBNAAA | |
| Hydrochloric Acid SCHEMBL11561808 | 0.90 | NAAA (0.42) | ALDH1A1NAAANPSR1HPGDL3MBTL1 | |
| Hydrochloric Acid SCHEMBL11565507 | 0.90 | NAAA (0.42) | ALDH1A1NAAANPSR1HPGDL3MBTL1 | |
| Hydrochloric Acid SCHEMBL11561818 | 0.90 | NAAA (0.42) | ALDH1A1NAAANPSR1HPGDL3MBTL1 | |
| Hydrochloric Acid SCHEMBL11558614 | 0.90 | NAAA (0.42) | ALDH1A1NAAANPSR1HPGDL3MBTL1 | |
| Hydrochloric Acid SCHEMBL11562345 | 0.88 | ALOX5 (0.42) | ALDH1A1POLBNAAAMEN1KMT2A |
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 |