Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.38 |
| ▸ | NQO2 | P16083 | 6/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.33 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.32 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| SCHEMBL900378 | 0.80 | ESR1 (0.65) | ESR1ESR2PTGS1PTGS2NQO2 | |
| SCHEMBL900379 | 0.80 | ESR1 (0.65) | ESR1ESR2PTGS1PTGS2NQO2 | |
| SCHEMBL12657464 | 0.80 | ESR1 (0.41) | ESR1ESR2PTGS1PTGS2NQO2 | |
| SCHEMBL12657462 | 0.75 | CYP19A1 (0.48) | NQO2RAB9ANPC1CYP19A1APP | |
| SCHEMBL8939242 | 0.75 | ESR1 (0.53) | ESR1ESR2PTGS1PTGS2NQO2 | |
| SCHEMBL12215956 | 0.75 | PTGS1 (0.39) | ESR1ESR2PTGS1PTGS2NQO2 | |
| SCHEMBL10104056 | 0.75 | ESR1 (0.36) | ESR1ESR2PTGS1PTGS2NQO2 | |
| SCHEMBL900961 | 0.74 | ESR1 (0.81) | ESR1ESR2PTGS1PTGS2NQO2 | |
| SCHEMBL900999 | 0.74 | ESR1 (0.81) | ESR1ESR2PTGS1PTGS2NQO2 | |
| SCHEMBL900960 | 0.74 | ESR1 (0.81) | ESR1ESR2PTGS1PTGS2NQO2 |
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-2004756-B1 | DYEING COMPOSITION COMPRISING A THIOL/DISULPHIDE FLUORESCENT COLORANT HAVING AN EXTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT | OREAL (FR) | 2011-05-04 | — | — | EP | disclosed |