Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 14/20 | 0.33 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.30 |
| ▸ | KCNQ1 | P51787 | 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 | |
|---|---|---|---|---|
| SCHEMBL8947011 | 1.00 | IDO1 (0.36) | IDO1ABCB1KCNE1KCNQ1 | |
| SCHEMBL8947007 | 1.00 | IDO1 (0.36) | IDO1ABCB1KCNE1KCNQ1 | |
| SCHEMBL6274078 | 0.81 | IDO1 (0.40) | IDO1ABCB1 | |
| SCHEMBL5868357 | 0.81 | IDO1 (0.40) | IDO1ABCB1 | |
| SCHEMBL5868353 | 0.81 | IDO1 (0.40) | IDO1ABCB1 | |
| SCHEMBL482484 | 0.80 | KCNE1 (0.47) | KCNE1KCNQ1 | |
| SCHEMBL9141916 | 0.80 | HTR2A (0.36) | IDO1ABCB1 | |
| SCHEMBL9582131 | 0.78 | ALDH1A1 (0.36) | IDO1ABCB1 | |
| SCHEMBL9581542 | 0.78 | ALDH1A1 (0.36) | IDO1ABCB1 | |
| SCHEMBL9581769 | 0.78 | IDO1 (0.37) | IDO1ABCB1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5500442-A | Cyclobut-3-ene-1,2-dione derivatives as smooth muscle relaxants | AMERICAN HOME PRODUCTS CORPORATION (US) | 1996-03-19 | — | — | US | disclosed |