Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.36 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.36 |
| ▸ | PYGL | P06737 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PLK1 | P53350 | 1/20 | 0.34 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11056545 | 0.88 | SCN5A (0.42) | ALDH1A1CACNA1CSCN5AMEN1KMT2A | |
| SCHEMBL11279063 | 0.85 | ALDH1A1 (0.37) | ALDH1A1LMNAHPGDPLK1NLRP3 | |
| SCHEMBL11051094 | 0.85 | ALDH1A1 (0.58) | ALDH1A1POLBMEN1KMT2ALMNA | |
| SCHEMBL10907930 | 0.84 | ALDH1A1 (0.43) | ALDH1A1POLBDRD2HTR2AHTR2B | |
| SCHEMBL11053068 | 0.84 | ALDH1A1 (0.45) | ALDH1A1POLBCACNA1CSCN5AMEN1 | |
| SCHEMBL11286369 | 0.83 | DRD2 (0.43) | ALDH1A1POLBCACNA1CSCN5APYGL | |
| SCHEMBL10906395 | 0.82 | HPGD (0.43) | ALDH1A1POLBMEN1KMT2ALMNA | |
| Hydrochloric Acid SCHEMBL11505527 | 0.81 | ALDH1A1 (0.41) | ALDH1A1POLBDRD2HTR2AHTR2B | |
| SCHEMBL10907867 | 0.80 | KMT2A (0.43) | ALDH1A1POLBDRD2HTR2AHTR2B | |
| Hydrochloric Acid SCHEMBL10905739 | 0.79 | KMT2A (0.42) | ALDH1A1POLBDRD2HTR2AHTR2B |
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 7 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-4326075-A | ANTIDIARRHEA AGENTS | WILLIAM H. RORER, INC. (US) | 1982-04-20 | — | — | 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-4203920-A | ANTIDIARRHEAL | WILLIAM H. RORER, INC. (US) | 1980-05-20 | — | — | US | disclosed |
| US-4147804-A | ANTIARRHYTHMIA AGENTS | WILLIAM H. RORER, INC. (US) | 1979-04-03 | — | — | US | disclosed |
| US-4060635-A | Amidinoureas for treating diarrhea | WILLIAM H. RORER, INC. (US) | 1977-11-29 | — | — | US | disclosed |