Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.36 |
| ▸ | DPP7 | Q9UHL4 | 6/20 | 0.35 |
| ▸ | DPP4 | P27487 | 5/20 | 0.35 |
| ▸ | DPP8 | Q6V1X1 | 3/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | GRB2 | P62993 | 1/20 | 0.32 |
| ▸ | GABRP | O00591 | 4/20 | 0.32 |
| ▸ | GABRD | O14764 | 4/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.32 |
| ▸ | GABRB1 | P18505 | 4/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 4/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 4/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 4/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 4/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 4/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL1980571 | 0.90 | SLC7A5 (0.42) | ALDH1A1MAPTPTGS1TSHRSLC7A5 | |
| Trifluoroacetic Acid SCHEMBL14737598 | 0.90 | ALDH1A1 (0.37) | ALDH1A1MAPTPTGS1TSHRSLC7A5 | |
| Trifluoroacetic Acid SCHEMBL3416090 | 0.86 | SLC7A5 (0.41) | ALDH1A1MAPTPTGS1TSHRSLC7A5 | |
| Trifluoroacetic Acid SCHEMBL1833665 | 0.83 | TP53 (0.40) | ALDH1A1MAPTPTGS1TSHRSLC7A5 | |
| Trifluoroacetic Acid SCHEMBL7439665 | 0.81 | SLC7A5 (0.43) | ALDH1A1MAPTPTGS1SLC7A5DPP7 | |
| Trifluoroacetic Acid SCHEMBL29441736 | 0.81 | SLC7A5 (0.43) | ALDH1A1MAPTPTGS1SLC7A5DPP7 | |
| Trifluoroacetic Acid SCHEMBL6104013 | 0.81 | SLC7A5 (0.43) | ALDH1A1MAPTPTGS1SLC7A5DPP7 | |
| Trifluoroacetic Acid SCHEMBL1370179 | 0.80 | DPP8 (0.34) | ALDH1A1MAPTPTGS1SLC7A5DPP7 | |
| SCHEMBL12681801 | 0.80 | — | — | |
| SCHEMBL19074510 | 0.80 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0934257-B1 | SUBSTITUTED N-ARYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES | WYETH CORP (US) | 2002-12-11 | — | — | EP | disclosed |
| EP-1151990-A1 | Substituted N-arylmethylamino derivatives of cyclobutene-3, 4-diones | AMERICAN HOME PRODUCTS CORPORATION (US) | 2001-11-07 | — | — | EP | disclosed |
| EP-0934257-A1 | SUBSTITUTED N-ARYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1999-08-11 | — | — | EP | disclosed |
| US-5780505-A | ADMINISTERING AS SMOOTH MUSCLE RELAXANT | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-07-14 | — | — | US | disclosed |
| US-5763474-A | SMOOTH MUSCLE RELAXANTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-06-09 | — | — | US | disclosed |
| WO-1998002413-A1 | SUBSTITUTED N-ARYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-01-22 | — | — | WO | disclosed |