Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL11053551 | 0.86 | ESR1 (0.34) | ESR1ESR2 | |
| SCHEMBL11059128 | 0.84 | KCNH2 (0.37) | ESR1ESR2 | |
| SCHEMBL11053066 | 0.83 | HTT (0.39) | — | |
| SCHEMBL11054223 | 0.77 | KMT2A (0.36) | — | |
| SCHEMBL11059651 | 0.76 | HCAR1 (0.44) | ESR1ESR2 | |
| SCHEMBL11474313 | 0.74 | MEN1 (0.31) | — | |
| SCHEMBL11059281 | 0.74 | KDM4E (0.37) | — | |
| SCHEMBL11344723 | 0.73 | NPC1 (0.32) | — | |
| SCHEMBL11050393 | 0.73 | ESR1 (0.31) | ESR1ESR2 | |
| SCHEMBL11053485 | 0.73 | ESR2 (0.41) | ESR1ESR2 |
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 |