Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLS | O94925 | 16/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27467431 | 0.80 | ALDH1A1 (0.46) | GLSALDH1A1TSHR | |
| SCHEMBL7371609 | 0.79 | GLS (0.40) | GLSALDH1A1POLB | |
| SCHEMBL8175484 | 0.71 | GLS (0.32) | GLS | |
| SCHEMBL24259157 | 0.68 | ALDH1A1 (0.38) | GLSHIF1AALDH1A1TSHRPOLB | |
| SCHEMBL31595794 | 0.66 | ALDH1A1 (0.30) | ALDH1A1POLB | |
| SCHEMBL19793299 | 0.66 | FFAR1 (0.47) | GLSALDH1A1POLB | |
| SCHEMBL17967116 | 0.66 | FFAR1 (0.52) | — | |
| SCHEMBL8840294 | 0.66 | MEN1 (0.47) | ALDH1A1POLB | |
| Hydrochloric Acid SCHEMBL11595879 | 0.65 | GPR35 (0.33) | ALDH1A1TSHR | |
| Glutaral SCHEMBL9500026 | 0.65 | HIF1A (0.71) | HIF1AALDH1A1TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6153628-A | 1,3,4-thiadiazoles and 1,3,4-Oxadiazoles as αv β3 antagonists | DUPONT PHARMACEUTICALS COMPANY (US) | 2000-11-28 | — | — | US | disclosed |
| EP-1049693-A1 | 1,3,4-THIADIAZOLES AND 1,3,4-OXADIAZOLES AS $g(a) v?$g(b) 3? ANTAGONISTS | Du Pont Pharmaceuticals Company (US) | 2000-11-08 | — | — | EP | disclosed |
| WO-1999026945-A1 | 1,3,4-THIADIAZOLES AND 1,3,4-OXADIAZOLES AS αvβ3 ANTAGONISTS | DU PONT PHARMACEUTICALS COMPANY (US) | 1999-06-03 | — | — | WO | disclosed |