Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.47 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.47 |
| ▸ | NAMPT | P43490 | 2/20 | 0.47 |
| ▸ | AR | P10275 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3398614 | 0.85 | CACNA1B (0.62) | CYP19A1LMNASMN1; SMN2HTTTSHR | |
| SCHEMBL7163236 | 0.84 | LMNA (0.54) | CYP19A1LMNASMN1; SMN2HTTTSHR | |
| SCHEMBL3399092 | 0.82 | LSS (0.52) | CYP19A1LMNASMN1; SMN2HTTTSHR | |
| SCHEMBL4104367 | 0.79 | NOS1 (0.52) | — | |
| SCHEMBL17233207 | 0.79 | NOS1 (0.52) | — | |
| SCHEMBL31706291 | 0.79 | NOS1 (0.52) | — | |
| SCHEMBL6750419 | 0.79 | NOS1 (0.52) | — | |
| SCHEMBL3397097 | 0.78 | LSS (0.51) | CYP19A1LMNASMN1; SMN2HTTTSHR | |
| SCHEMBL7248303 | 0.78 | NOS1 (0.51) | ALDH1A1 | |
| SCHEMBL7983880 | 0.75 | CYP19A1 (0.76) | CYP19A1LMNASMN1; SMN2HTTTSHR |
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-1303503-A2 | ANILINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-04-23 | — | — | EP | disclosed |
| WO-2002006189-A2 | ANILINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-01-24 | — | — | WO | disclosed |