Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.38 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | LOX | P28300 | 1/20 | 0.37 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.37 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.37 |
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 SCHEMBL5205467 | 0.92 | SCN9A (0.39) | ALDH1A1KMT2AHPGDALOX15TDP1 | |
| Trifluoroacetic Acid SCHEMBL5207958 | 0.90 | SMN1; SMN2 (0.47) | ALDH1A1KMT2AHPGDTDP1POLB | |
| Trifluoroacetic Acid SCHEMBL5207856 | 0.89 | KMT2A (0.37) | ALDH1A1KMT2AHPGDALOX15TDP1 | |
| Trifluoroacetic Acid SCHEMBL5202054 | 0.88 | TSPO (0.39) | NR3C1 | |
| Trifluoroacetic Acid SCHEMBL5207332 | 0.88 | TPSAB1 (0.44) | ALDH1A1KMT2AMEN1MAPK1LOX | |
| Trifluoroacetic Acid SCHEMBL5203155 | 0.87 | LPAR1 (0.38) | ALDH1A1MAPK14CACNA1HCACNA1BPOLB | |
| Trifluoroacetic Acid SCHEMBL5205760 | 0.87 | ALDH1A1 (0.39) | ALDH1A1CACNA1HCACNA1BPOLBNR3C1 | |
| Trifluoroacetic Acid SCHEMBL5206005 | 0.87 | TSPO (0.47) | ALDH1A1KMT2AHPGDMEN1NR3C1 | |
| Trifluoroacetic Acid SCHEMBL5205240 | 0.87 | MAPK14 (0.39) | ALDH1A1MAPK14TDP1CACNA1HCACNA1B | |
| Trifluoroacetic Acid SCHEMBL5208616 | 0.86 | TSPO (0.38) | KMT2AMAPK14CACNA1HCACNA1BMEN1 |
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 |