Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | NAAA | Q02083 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 9/20 | 0.31 |
| ▸ | CA2 | P00918 | 9/20 | 0.31 |
| ▸ | CA9 | Q16790 | 8/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 3/20 | 0.31 |
| ▸ | CA7 | P43166 | 3/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.31 |
| ▸ | CA3 | P07451 | 2/20 | 0.31 |
| ▸ | CA4 | P22748 | 2/20 | 0.31 |
| ▸ | CA6 | P23280 | 2/20 | 0.31 |
| ▸ | CA5A | P35218 | 2/20 | 0.31 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3145348 | 0.98 | GBA1 (0.40) | GBA1ALDH1A1TDP1NAAACA1 | |
| SCHEMBL2115184 | 0.86 | — | — | |
| SCHEMBL13864496 | 0.84 | GBA1 (0.36) | GBA1ALDH1A1TDP1NAAAMEN1 | |
| SCHEMBL20601576 | 0.77 | — | — | |
| SCHEMBL7569046 | 0.72 | MEN1 (0.42) | GBA1ALDH1A1TDP1MEN1THRB | |
| SCHEMBL17245049 | 0.71 | — | — | |
| SCHEMBL5935738 | 0.70 | ALDH1A1 (0.49) | ALDH1A1TDP1MEN1THRBHTT | |
| SCHEMBL29239966 | 0.70 | ALDH1A1 (0.49) | ALDH1A1TDP1MEN1THRBHTT | |
| SCHEMBL3186626 | 0.69 | GBA1 (0.46) | GBA1ALDH1A1TDP1NAAAMEN1 | |
| SCHEMBL898896 | 0.69 | GBA1 (0.43) | GBA1ALDH1A1TDP1NAAAMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1115702-A4 | SUBSTITUTED NITROGEN AND SULFUR ALICYCLIC COMPOUNDS, INCLUDING METHODS FOR SYNTHESIS THEREOF | MILLENNIUM PHARM INC (US) | 2002-04-17 | — | — | EP | disclosed |
| EP-1115702-A1 | SUBSTITUTED NITROGEN AND SULFUR ALICYCLIC COMPOUNDS, INCLUDING METHODS FOR SYNTHESIS THEREOF | Millennium Pharmaceuticals, Inc. (US) | 2001-07-18 | — | — | EP | disclosed |
| WO-2000001670-A1 | SUBSTITUTED NITROGEN AND SULFUR ALICYCLIC COMPOUNDS, INCLUDING METHODS FOR SYNTHESIS THEREOF | LEUKOSITE, INC. (US) | 2000-01-13 | — | — | WO | disclosed |