Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.36 |
| ▸ | CFD | P00746 | 2/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL5206411 | 0.92 | HCRTR1 (0.39) | HCRTR1HCRTR2CFDMEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL5205133 | 0.91 | CFD (0.35) | PARP1HCRTR1HCRTR2CFDADORA2A | |
| Trifluoroacetic Acid SCHEMBL5205258 | 0.90 | TAOK1 (0.39) | HCRTR1HCRTR2CFDMEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL5206105 | 0.88 | CFD (0.38) | HCRTR1HCRTR2CFDMEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL5205518 | 0.87 | HCRTR1 (0.43) | HCRTR1HCRTR2ADORA2AMEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL5202074 | 0.87 | TAOK1 (0.39) | HCRTR1HCRTR2CFDMEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL5206323 | 0.87 | HCRTR1 (0.36) | HCRTR1HCRTR2CFDMEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL5202445 | 0.87 | DHODH (0.39) | HCRTR1HCRTR2CFDMEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL5202626 | 0.86 | ALDH1A1 (0.42) | HCRTR1HCRTR2CFDMEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL5208207 | 0.86 | HCRTR1 (0.37) | HCRTR1HCRTR2CFDMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-7160887-B1 | Aromatic amine derivatives, their production and use | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-01-09 | — | — | US | disclosed |
| EP-1123918-B1 | AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME | TAKEDA PHARMACEUTICAL (JP) | 2005-03-09 | — | — | EP | disclosed |
| EP-1123918-A1 | AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME | Takeda Chemical Industries, Ltd. (JP) | 2001-08-16 | — | — | EP | disclosed |