Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.44 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.44 |
| ▸ | AHR | P35869 | 1/20 | 0.44 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.42 |
| ▸ | FEN1 | P39748 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | IKBKB | O14920 | 1/20 | 0.41 |
| ▸ | SMO | Q99835 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | APAF1 | O14727 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4134484 | 0.84 | AHR (0.56) | ESR2CYP1A2AHRERCC5FEN1 | |
| SCHEMBL1443418 | 0.78 | AHR (0.74) | ESR2CYP1A2AHRERCC5FEN1 | |
| SCHEMBL29493845 | 0.78 | AHR (0.74) | ESR2CYP1A2AHRERCC5FEN1 | |
| SCHEMBL6142209 | 0.77 | MKNK1 (0.65) | CYP1A2ALDH1A1MEN1CYP2A6 | |
| SCHEMBL19785384 | 0.76 | ESR2 (0.61) | ESR2CYP1A2AKR1C2AKR1C1AHR | |
| Water SCHEMBL11023201 | 0.76 | AHR (0.70) | ESR2CYP1A2AHRERCC5FEN1 | |
| Sulfur Dioxide SCHEMBL27851594 | 0.76 | AHR (0.61) | ESR2CYP1A2AKR1C2AKR1C1AHR | |
| SCHEMBL6436155 | 0.74 | ESR2 (0.59) | ESR2CYP1A2AHRALOX5ALDH1A1 | |
| SCHEMBL16688110 | 0.74 | ESR2 (0.59) | ESR2CYP1A2AHRALOX5ALDH1A1 | |
| SCHEMBL27940579 | 0.74 | AHR (0.58) | ESR2CYP1A2AHRERCC5FEN1 |
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-2251392-B1 | AGENT FOR RELEASING FUNCTIONAL SUBSTANCE | KAO CORP (JP) | 2013-02-27 | — | — | EP | disclosed |