Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | PTP4A3 | O75365 | 1/20 | 0.31 |
| ▸ | PTP4A2 | Q12974 | 1/20 | 0.31 |
| ▸ | PTP4A1 | Q93096 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL9651265 | 1.00 | TSHR (0.33) | TSHRPTP4A3PTP4A2PTP4A1CYP3A4 | |
| SCHEMBL9651169 | 0.84 | PTP4A3 (0.33) | TSHRPTP4A3PTP4A2PTP4A1CYP3A4 | |
| SCHEMBL9651164 | 0.84 | PTP4A3 (0.33) | TSHRPTP4A3PTP4A2PTP4A1CYP3A4 | |
| SCHEMBL9175808 | 0.81 | CYP3A4 (0.33) | TSHRCYP3A4 | |
| SCHEMBL9175802 | 0.81 | CYP3A4 (0.33) | TSHRCYP3A4 | |
| SCHEMBL9648194 | 0.80 | ABCB1 (0.36) | TSHR | |
| SCHEMBL8626482 | 0.80 | ABCB1 (0.36) | TSHR | |
| SCHEMBL9649935 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL9649932 | 0.77 | ALDH1A1 (0.30) | — | |
| Alcohol SCHEMBL28489742 | 0.77 | ABCB1 (0.35) | TSHR |
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 5 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 |
| EP-0246603-A2 | 4-Halogeno-2-Oxyimino-3-Oxobutyric acids | Takeda Chemical Industries, Ltd. (JP) | 1987-11-25 | — | — | EP | disclosed |