Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 2/20 | 0.39 |
| ▸ | GLS | O94925 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | CASP2 | P42575 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | CASP6 | P55212 | 1/20 | 0.37 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL13649427 | 0.83 | ALDH1A1 (0.62) | TSHRALDH1A1CYP3A4USP2LMNA | |
| SCHEMBL8997416 | 0.81 | CYP1A2 (0.49) | CYP1A2TSHRALDH1A1CYP3A4MAPK1 | |
| SCHEMBL3091554 | 0.81 | CYP1A2 (0.52) | CYP1A2TSHRALDH1A1CYP3A4CNR1 | |
| SCHEMBL25439358 | 0.79 | CYP1A2 (0.46) | CYP1A2TSHRALDH1A1CYP3A4MEN1 | |
| SCHEMBL8019577 | 0.79 | CYP1A2 (0.46) | CYP1A2TSHRALDH1A1CYP3A4LMNA | |
| SCHEMBL8027120 | 0.79 | ALDH1A1 (0.46) | ALDH1A1CNR1MEN1KMT2AS1PR3 | |
| SCHEMBL27937248 | 0.78 | CYP1A2 (0.52) | CYP1A2TSHRALDH1A1CYP3A4CNR1 | |
| SCHEMBL12571904 | 0.76 | CYP1A2 (0.44) | CYP1A2TSHRALDH1A1CYP3A4MAPK1 | |
| SCHEMBL28970489 | 0.75 | ALDH1A1 (0.45) | CYP1A2TSHRALDH1A1CYP3A4GLS | |
| SCHEMBL15270696 | 0.75 | MAPT (0.43) | CYP1A2ALDH1A1CYP3A4MAPK1LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009095324-A1 | NOVEL N-(2-AMINO-PHENYL)-AMIDE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-08-06 | — | — | WO | disclosed |