Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 4/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | USP2 | O75604 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5707641 | 0.90 | ALDH1A1 (0.46) | ALDH1A1ADRA2BPTGS1TDP1HTT | |
| SCHEMBL10362245 | 0.89 | MAPT (0.50) | ALDH1A1TDP1HTTMAPK1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL10363905 | 0.87 | MAPT (0.53) | ALDH1A1TDP1HTTMAPK1L3MBTL1 | |
| SCHEMBL599354 | 0.84 | GAA (0.50) | ALDH1A1ADRA2BPTGS1TDP1HTT | |
| SCHEMBL1341358 | 0.84 | SLC6A2 (0.50) | ALDH1A1ADRA2BPTGS1TDP1HTT | |
| SCHEMBL5553236 | 0.84 | AR (0.50) | ALDH1A1ADRA2BPTGS1TDP1HTT | |
| SCHEMBL11993859 | 0.84 | ALDH1A1 (0.69) | ALDH1A1ADRA2BPTGS1TDP1HTT | |
| SCHEMBL6731188 | 0.82 | ALDH1A1 (0.46) | ALDH1A1ADRA2BPTGS1TDP1HTT | |
| SCHEMBL1340623 | 0.82 | ALDH1A1 (0.74) | ALDH1A1ADRA2BPTGS1TDP1HTT | |
| SCHEMBL15514306 | 0.82 | ALDH1A1 (0.64) | ALDH1A1ADRA2BPTGS1TDP1HTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007071344-A2 | NOVEL COUPLING CONSTITUENTS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2007-06-28 | — | — | WO | claimed |
| WO-2007071344-A2 | NOVEL COUPLING CONSTITUENTS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2007-06-28 | — | — | WO | disclosed |
| WO-2007071344-A2 | NOVEL COUPLING CONSTITUENTS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2007-06-28 | — | — | WO | disclosed |