Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 15/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11261631 | 0.78 | GAA (0.51) | HPGDSMN1; SMN2ALDH1A1GAA | |
| SCHEMBL17478128 | 0.74 | GPBAR1 (0.60) | GPBAR1HPGDSMN1; SMN2NPSR1ALOX12 | |
| SCHEMBL13495367 | 0.71 | GPBAR1 (0.50) | GPBAR1SMN1; SMN2ALDH1A1 | |
| SCHEMBL19138260 | 0.70 | GPBAR1 (0.64) | GPBAR1HPGDSMN1; SMN2NPSR1 | |
| SCHEMBL17478110 | 0.70 | GPBAR1 (0.83) | GPBAR1 | |
| SCHEMBL11043941 | 0.70 | ALDH1A1 (0.36) | HPGDSMN1; SMN2ALDH1A1GAA | |
| SCHEMBL10770483 | 0.69 | POLB (0.51) | NPSR1ALDH1A1GAA | |
| SCHEMBL30593827 | 0.68 | GPBAR1 (0.75) | GPBAR1NPSR1ALDH1A1GAA | |
| SCHEMBL10405140 | 0.68 | SMN1; SMN2 (0.53) | HPGDSMN1; SMN2NPSR1OPRK1ALDH1A1 | |
| SCHEMBL17478234 | 0.68 | GPBAR1 (0.70) | GPBAR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4224441-A | Derivatives of 7-aminocephalosporanic acid | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1980-09-23 | — | — | US | claimed |
| US-4166178-A | 3-ACYLOXYMETHYL-CEPHEM COMPOUNDS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1979-08-28 | — | — | US | claimed |
| US-4224441-A | Derivatives of 7-aminocephalosporanic acid | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1980-09-23 | — | — | US | disclosed |
| US-4166178-A | 3-ACYLOXYMETHYL-CEPHEM COMPOUNDS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1979-08-28 | — | — | US | disclosed |