Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.31 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | GLO1 | Q04760 | 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 | |
|---|---|---|---|---|
| SCHEMBL9650257 | 1.00 | ALDH1A1 (0.36) | ALDH1A1TSHRMAPTSOAT1ABCB1 | |
| SCHEMBL9651307 | 0.85 | DRD2 (0.35) | ALDH1A1TSHRMAPT | |
| SCHEMBL9651152 | 0.84 | — | — | |
| SCHEMBL9651156 | 0.84 | — | — | |
| SCHEMBL9648207 | 0.83 | TSHR (0.30) | TSHR | |
| SCHEMBL9648212 | 0.83 | TSHR (0.30) | TSHR | |
| SCHEMBL9648228 | 0.83 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL9648220 | 0.83 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL9651227 | 0.81 | — | — | |
| SCHEMBL9648299 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0246603-B1 | 4-HALOGENO-2-OXYIMINO-3-OXOBUTYRIC ACIDS | Takeda Chemical Industries, Ltd. (JP) | 1992-12-30 | — | — | EP | disclosed |
| CN-1014408-B | PREPARATION OF 4-HALOGENO-2-OXYIMINO-3-OXOBUTYRIC ACID | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1991-10-23 | — | — | CN | disclosed |
| US-4845257-A | 4-halogeno-2-oxyimino-3-oxobutyric acids and derivatives | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1989-07-04 | — | — | US | disclosed |
| CN-87103668-A | 4-halo-2-oximino-3-ketobutyric acid | — | 1988-04-13 | — | — | CN | disclosed |