Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.67 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | CTDSP1 | Q9GZU7 | 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 | |
|---|---|---|---|---|
| Dioxane SCHEMBL6650816 | 0.90 | ALDH1A1 (0.75) | ALDH1A1ESR1SMN1; SMN2CTDSP1 | |
| SCHEMBL1330919 | 0.82 | — | — | |
| SCHEMBL23785 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL8669936 | 0.80 | — | — | |
| SCHEMBL6368222 | 0.80 | — | — | |
| Nitrogen SCHEMBL15994321 | 0.78 | ALDH1A1 (0.90) | ALDH1A1ESR1 | |
| Methyl Alcohol SCHEMBL28312507 | 0.78 | ALDH1A1 (0.90) | ALDH1A1ESR1 | |
| SCHEMBL3915708 | 0.76 | ALDH1A1 (0.78) | ALDH1A1ESR1 | |
| Nitrous Acid SCHEMBL14660251 | 0.76 | ALDH1A1 (0.86) | ALDH1A1ESR1 | |
| Dibromomethane SCHEMBL27918005 | 0.76 | ALDH1A1 (0.86) | ALDH1A1ESR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1387842-A1 | BROADSPECTRUM 2-AMINO-BENZOXAZOLE SULFONAMIDE HIV PROTEASE INHIBITORS | Tibotec Pharmaceuticals Ltd. (IE) | 2004-02-11 | — | — | EP | disclosed |
| WO-2002092595-A1 | BROADSPECTRUM 2-AMINO-BENZOXAZOLE SULFONAMIDE HIV PROTEASE INHIBITORS | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2002-11-21 | — | — | WO | disclosed |