Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | NR3C2 | P08235 | 3/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | MYC | P01106 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | TTR | P02766 | 2/20 | 0.34 |
| ▸ | FABP4 | P15090 | 1/20 | 0.34 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 2/20 | 0.33 |
| ▸ | CNR2 | P34972 | 2/20 | 0.33 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PGAM1 | P18669 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8370471 | 0.81 | ESR2 (0.36) | ESR1ESR2ALDH1A1CYP3A4NR3C2 | |
| SCHEMBL8370468 | 0.80 | CYP1A2 (0.36) | ESR1ESR2ALDH1A1CYP3A4NR3C2 | |
| SCHEMBL1276539 | 0.79 | CA2 (0.56) | ESR1ESR2ALDH1A1CYP3A4CA2 | |
| SCHEMBL8368892 | 0.78 | ESR1 (0.41) | ESR1ESR2ALDH1A1CYP3A4NR3C2 | |
| SCHEMBL8367502 | 0.78 | ESR1 (0.44) | ESR1ESR2ALDH1A1CYP3A4NR3C2 | |
| SCHEMBL8369553 | 0.78 | ESR2 (0.44) | ESR1ESR2ALDH1A1CYP3A4NR3C2 | |
| SCHEMBL6858500 | 0.78 | CA2 (0.61) | ALDH1A1CA2CYP1A2MYCNPSR1 | |
| SCHEMBL8370535 | 0.77 | TYR (0.36) | ALDH1A1CYP3A4CA2CYP1A2NPSR1 | |
| SCHEMBL8369683 | 0.77 | ESR1 (0.43) | ESR1ESR2ALDH1A1CYP3A4NR3C2 | |
| SCHEMBL8367500 | 0.77 | CYP3A4 (0.40) | ESR1ESR2ALDH1A1CYP3A4NR3C2 |
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-0714785-B1 | Sulfonated phenol (salt) containing color-developing agents and color-developing sheets | MITSUI CHEMICALS INC (JP) | 1999-01-07 | — | — | EP | disclosed |
| US-5647896-A | MULTIVALENT SALT OF A SALICYLIC ACID DERIVATIVE, SULFONATED PHENOL | MITSUI TOATSU CHEMICALS, INC. (JP) | 1997-07-15 | — | — | US | disclosed |