Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | SELL | P14151 | 1/20 | 0.30 |
| ▸ | SELP | P16109 | 1/20 | 0.30 |
| ▸ | SELE | P16581 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL999206 | 0.94 | ALDH1A1 (0.40) | ALDH1A1TSHRCA1CA9SELL | |
| SCHEMBL12400058 | 0.82 | ALDH1A1 (0.36) | ALDH1A1 | |
| SCHEMBL10243144 | 0.82 | ACHE (0.36) | ACHE | |
| SCHEMBL12262679 | 0.77 | CYP2A6 (0.38) | — | |
| SCHEMBL12399933 | 0.77 | ALDH1A1 (0.38) | ALDH1A1 | |
| SCHEMBL13172652 | 0.75 | TPMT (0.61) | ALDH1A1TSHRCA1CA9SELL | |
| SCHEMBL13172756 | 0.75 | TPMT (0.40) | — | |
| SCHEMBL13172650 | 0.73 | TPMT (0.39) | — | |
| SCHEMBL29956190 | 0.73 | — | — | |
| SCHEMBL1641881 | 0.73 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7728139-B2 | Solvent-free process for the preparation of diketopyrrolopyrrole derivatives | MCA TECHNOLOGIES GMBH (CH) | 2010-06-01 | — | — | US | disclosed |