Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CRHR1 | P34998 | 4/20 | 0.33 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.31 |
| ▸ | PAK2 | Q13177 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11474313 | 0.93 | MEN1 (0.31) | PAK1PAK2 | |
| SCHEMBL11056407 | 0.90 | CRHR1 (0.34) | CRHR1 | |
| SCHEMBL11059249 | 0.87 | ESR1 (0.38) | — | |
| SCHEMBL11053272 | 0.87 | NOS3 (0.32) | — | |
| SCHEMBL11050393 | 0.83 | ESR1 (0.31) | CRHR1PAK1PAK2 | |
| SCHEMBL11053551 | 0.82 | ESR1 (0.34) | — | |
| SCHEMBL11059212 | 0.81 | HCAR1 (0.38) | PAK1PAK2 | |
| SCHEMBL11351070 | 0.81 | ALDH1A1 (0.41) | CRHR1 | |
| SCHEMBL11344723 | 0.81 | NPC1 (0.32) | — | |
| SCHEMBL11483207 | 0.81 | ALDH1A1 (0.41) | — |
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 3 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 |