Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | PTGER2 | P43116 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TSPO | P30536 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 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 SCHEMBL5201994 | 0.94 | CYP3A4 (0.42) | ALDH1A1MAPTSMN1; SMN2MAPK1LMNA | |
| Trifluoroacetic Acid SCHEMBL5203223 | 0.91 | NAMPT (0.40) | ALDH1A1MAPTMAPK1LMNAHTT | |
| Trifluoroacetic Acid SCHEMBL5206020 | 0.90 | ALDH1A1 (0.43) | ALDH1A1NPC1RAB9ATSPOKMT2A | |
| Trifluoroacetic Acid SCHEMBL5203361 | 0.89 | TPSAB1 (0.38) | ALDH1A1MAPK1LMNAHTTKDM4E | |
| Trifluoroacetic Acid SCHEMBL5204380 | 0.89 | EPHX2 (0.38) | ALDH1A1HTTTSPOKDM4ETPSAB1 | |
| Trifluoroacetic Acid SCHEMBL5202242 | 0.88 | TPSAB1 (0.37) | MAPK1LMNATSPOKMT2AMEN1 | |
| Trifluoroacetic Acid SCHEMBL5202835 | 0.88 | TPSAB1 (0.36) | ALDH1A1LMNAHTTTSPOKDM4E | |
| Trifluoroacetic Acid SCHEMBL5203166 | 0.88 | ALDH1A1 (0.39) | ALDH1A1MAPK1RAB9ALMNAHTT | |
| Trifluoroacetic Acid SCHEMBL5204088 | 0.88 | MAPK1 (0.44) | ALDH1A1MAPTSMN1; SMN2MAPK1LMNA | |
| Trifluoroacetic Acid SCHEMBL5207332 | 0.87 | TPSAB1 (0.44) | ALDH1A1MAPK1TSPOKMT2AMEN1 |
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 |