Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12186319 | 1.00 | ESR2 (0.47) | ESR2ALDH1A1CES2ALOX15CYP1B1 | |
| SCHEMBL12676201 | 0.85 | CES2 (0.39) | ESR2ALDH1A1CES2ALOX15CYP1B1 | |
| SCHEMBL1246549 | 0.83 | CES2 (0.52) | ESR2ALDH1A1CES2ALOX15CYP1B1 | |
| SCHEMBL28227228 | 0.83 | CES2 (0.35) | ESR2ALDH1A1CES2ALOX15CYP1B1 | |
| SCHEMBL9414358 | 0.80 | ESR2 (0.41) | ESR2ALDH1A1CES2ALOX15CYP1B1 | |
| SCHEMBL12654267 | 0.77 | SCN9A (0.35) | ALDH1A1CES2ALOX15CYP1B1SCN9A | |
| SCHEMBL15943521 | 0.77 | ALDH1A1 (0.46) | ESR2ALDH1A1CES2ALOX15CYP1B1 | |
| SCHEMBL14730407 | 0.76 | CES2 (0.53) | ESR2ALDH1A1CES2ALOX15CYP1B1 | |
| SCHEMBL20726995 | 0.76 | DRD3 (0.31) | ALDH1A1CES2ALOX15CYP1B1 | |
| SCHEMBL11775183 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1603570-B1 | AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS | SUGEN INC (US) | 2013-01-23 | — | — | EP | disclosed |