Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.33 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11060003 | 0.93 | GRIN2D (0.35) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL10938987 | 0.88 | CYP3A4 (0.35) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL11058990 | 0.87 | — | — | |
| SCHEMBL11055237 | 0.86 | ESR1 (0.32) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL11055988 | 0.86 | USP2 (0.32) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL11056815 | 0.86 | GRIN2D (0.31) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL11055131 | 0.82 | MEN1 (0.31) | SMN1; SMN2 | |
| SCHEMBL10615590 | 0.82 | ALDH1A1 (0.41) | CYP3A4SMN1; SMN2TDP1 | |
| Hydrochloric Acid SCHEMBL11058729 | 0.81 | GRIN2D (0.31) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL11058712 | 0.81 | CYP3A4 (0.35) | CYP3A4ACHE |
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 |