Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 12/20 | 0.43 |
| ▸ | USP2 | O75604 | 11/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 10/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 9/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.42 |
| ▸ | MEN1 | O00255 | 5/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL28212072 | 0.81 | CYP1A2 (0.45) | CYP1A2USP2CYP2C19CYP2C9HSD17B10 | |
| SCHEMBL4763966 | 0.78 | SCN5A (0.37) | SMN1; SMN2ALDH1A1LMNAKMT2AKCNH2 | |
| SCHEMBL4723968 | 0.78 | NOS1 (0.41) | CYP1A2USP2CYP2C19CYP2C9HSD17B10 | |
| SCHEMBL28212561 | 0.75 | CYP1A2 (0.47) | CYP1A2USP2CYP2C19CYP2C9HSD17B10 | |
| SCHEMBL30019380 | 0.75 | KCNH2 (0.42) | CYP1A2USP2CYP2C19CYP2C9HSD17B10 | |
| SCHEMBL2173797 | 0.71 | MKNK2 (0.40) | CYP1A2USP2CYP2C19CYP2C9HSD17B10 | |
| SCHEMBL13195335 | 0.71 | MKNK2 (0.40) | CYP1A2 | |
| SCHEMBL25818492 | 0.71 | MKNK2 (0.40) | CYP1A2USP2CYP2C19CYP2C9HSD17B10 | |
| SCHEMBL15833488 | 0.69 | MAPK13 (0.39) | ALDH1A1HDAC6 | |
| SCHEMBL15833690 | 0.69 | MTNR1A (0.36) | ALDH1A1GRM2TAAR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1957488-A1 | 3-AMINO-2-ARYLPROPYL AZAINDOLES AND USES THEREOF | F.HOFFMANN-LA ROCHE AG (CH) | 2008-08-20 | — | — | EP | disclosed |
| WO-2007062998-A1 | 3-AMINO-2-ARYLPROPYL AZAINDOLES AND USES THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2007-06-07 | — | — | WO | disclosed |