Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | HTR2B | P41595 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.47 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 4/20 | 0.44 |
| ▸ | CHIT1 | Q13231 | 1/20 | 0.42 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11053537 | 0.92 | DRD2 (0.48) | DRD2HTR2AHTR2BPKMCACNA1C | |
| SCHEMBL11056050 | 0.92 | SCN5A (0.55) | DRD2HTR2AHTR2BPKMCACNA1C | |
| SCHEMBL11656116 | 0.91 | DRD2 (0.47) | DRD2HTR2AHTR2BPKMCACNA1C | |
| SCHEMBL7169954 | 0.90 | CACNA1C (0.57) | DRD2HTR2AHTR2BPKMCACNA1C | |
| SCHEMBL11660909 | 0.90 | DRD2 (0.46) | DRD2HTR2AHTR2BPKMCACNA1C | |
| SCHEMBL11060254 | 0.89 | SCN5A (0.59) | DRD2HTR2AHTR2BPKMCACNA1C | |
| SCHEMBL11665149 | 0.86 | CACNA1C (0.50) | DRD2HTR2AHTR2BPKMCACNA1C | |
| SCHEMBL11658835 | 0.86 | ALDH1A1 (0.39) | DRD2HTR2AHTR2BPKMCACNA1C | |
| SCHEMBL11282018 | 0.85 | CACNA1C (0.46) | DRD2HTR2AHTR2BPKMCACNA1C | |
| SCHEMBL10613075 | 0.85 | POLB (0.43) | DRD2HTR2AHTR2BPKMCACNA1C |
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-4117165-A | ANTIULCER, HYPOTENSIVE AGENTS | WILLIAM H. RORER, INC. (US) | 1978-09-26 | — | — | US | disclosed |
| US-4060635-A | Amidinoureas for treating diarrhea | WILLIAM H. RORER, INC. (US) | 1977-11-29 | — | — | US | disclosed |