Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1C | Q13936 | 2/20 | 0.54 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 3/20 | 0.51 |
| ▸ | DRD2 | P14416 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | HTR2B | P41595 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11274843 | 0.91 | ALDH1A1 (0.50) | CACNA1CSCN5APOLBNLRP3ALDH1A1 | |
| SCHEMBL11278731 | 0.89 | POLB (0.62) | SCN5APOLBDRD2HTR2AHTR2B | |
| SCHEMBL10615584 | 0.87 | CACNA1C (0.52) | CACNA1CSCN5APOLBDRD2HTR2A | |
| SCHEMBL11252413 | 0.83 | POLB (0.51) | POLBNLRP3ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL10939937 | 0.83 | CACNA1C (0.61) | CACNA1CSCN5ANLRP3ALDH1A1HTT | |
| SCHEMBL9177252 | 0.82 | ALDH1A1 (0.57) | POLBNLRP3ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL6698675 | 0.82 | NLRP3 (0.50) | CACNA1CSCN5APOLBDRD2HTR2A | |
| SCHEMBL7169954 | 0.82 | CACNA1C (0.57) | CACNA1CSCN5APOLBDRD2HTR2A | |
| Hydrochloric Acid SCHEMBL11437019 | 0.82 | CACNA1C (0.60) | CACNA1CSCN5APKMNLRP3ALDH1A1 | |
| SCHEMBL11058401 | 0.82 | POLB (0.54) | POLBDRD2HTR2AHTR2BPKM |
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 5 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-4203920-A | ANTIDIARRHEAL | WILLIAM H. RORER, INC. (US) | 1980-05-20 | — | — | US | disclosed |
| US-4060635-A | Amidinoureas for treating diarrhea | WILLIAM H. RORER, INC. (US) | 1977-11-29 | — | — | US | disclosed |