Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16958408 | 0.81 | ALDH1A1 (0.36) | ALDH1A1TSHRMAPK1TDP1L3MBTL1 | |
| SCHEMBL28007784 | 0.79 | ALDH1A1 (0.56) | ALDH1A1 | |
| SCHEMBL1066949 | 0.79 | — | — | |
| SCHEMBL63193 | 0.77 | ALDH1A1 (0.59) | ALDH1A1 | |
| SCHEMBL3453973 | 0.77 | — | — | |
| SCHEMBL1068013 | 0.76 | GPR3 (0.32) | — | |
| SCHEMBL1067020 | 0.75 | MAPT (0.41) | ALDH1A1 | |
| SCHEMBL28360321 | 0.75 | ALDH1A1 (0.58) | ALDH1A1 | |
| SCHEMBL28108949 | 0.74 | ALDH1A1 (0.56) | ALDH1A1 | |
| SCHEMBL28321856 | 0.74 | ALDH1A1 (0.56) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011006886-A2 | AZOLE COMPOUNDS CARRYING A SULFUR SUBSTITUENT XIV | BASF SE (DE) | 2011-01-20 | — | — | WO | disclosed |
| WO-2010149758-A1 | ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES | BASF SE (DE) | 2010-12-29 | — | — | WO | disclosed |