Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.40 |
| ▸ | TSPO | P30536 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ALB | P02768 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
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 SCHEMBL5201994 | 0.93 | CYP3A4 (0.42) | MAPK1SUCNR1TSPOMAPTALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL5205606 | 0.92 | TSPO (0.38) | MAPK1SUCNR1TSPO | |
| Trifluoroacetic Acid SCHEMBL5201953 | 0.89 | ALDH1A1 (0.39) | TSPOALDH1A1POLBKDM4ELMNA | |
| Trifluoroacetic Acid SCHEMBL5204913 | 0.89 | SUCNR1 (0.39) | MAPK1SUCNR1TSPOALDH1A1KDM4E | |
| Trifluoroacetic Acid SCHEMBL5205308 | 0.89 | TPSAB1 (0.38) | MAPK1SUCNR1TSPO | |
| Trifluoroacetic Acid SCHEMBL5202540 | 0.89 | ALDH1A1 (0.38) | MAPK1TSPOALDH1A1POLBKDM4E | |
| Trifluoroacetic Acid SCHEMBL5202609 | 0.88 | TSPO (0.44) | TSPOALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL5208190 | 0.88 | ALDH1A1 (0.36) | TSPOMAPTALDH1A1POLBKDM4E | |
| Trifluoroacetic Acid SCHEMBL5201547 | 0.88 | ALDH1A1 (0.40) | MAPK1TSPOMAPTALDH1A1SMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL5208616 | 0.86 | TSPO (0.38) | SUCNR1TSPO |
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 |