Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL27549262 | 0.73 | ALDH1A1 (0.43) | ALDH1A1L3MBTL1TSHR | |
| SCHEMBL10381966 | 0.71 | ALDH1A1 (0.42) | ALDH1A1L3MBTL1TSHR | |
| SCHEMBL9765961 | 0.67 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1TP53TSHR | |
| SCHEMBL27320303 | 0.65 | ALDH1A1 (0.48) | ALDH1A1L3MBTL1TP53TSHR | |
| SCHEMBL27542536 | 0.65 | ALDH1A1 (0.48) | ALDH1A1L3MBTL1TP53TSHR | |
| SCHEMBL866857 | 0.62 | ALDH1A1 (0.46) | ALDH1A1L3MBTL1TP53TSHR | |
| Trifluoromethanesulfonic Acid SCHEMBL991785 | 0.62 | ALDH1A1 (0.60) | ALDH1A1L3MBTL1TP53TSHR | |
| SCHEMBL7559376 | 0.62 | — | — | |
| SCHEMBL9348798 | 0.60 | — | — | |
| SCHEMBL7531221 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20040231558-A1 | Has a clear hue, high light fastness and high moisture resistance | MITSUI CHEMICALS, INC. (JP) | 2004-11-25 | — | — | US | disclosed |
| EP-1441013-A1 | WATERCOLOR INK | Mitsui Chemicals, Inc. (JP) | 2004-07-28 | — | — | EP | disclosed |