Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.59 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.59 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.59 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.59 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.44 |
| ▸ | MIF | P14174 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | TYR | P14679 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.40 |
| ▸ | CPN1 | P15169 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3482673 | 0.90 | CYP3A4 (0.48) | ESR1ESR2PDCD1CD274CA1 | |
| SCHEMBL927270 | 0.86 | CYP3A4 (0.44) | ESR1ESR2PDCD1CD274CA1 | |
| SCHEMBL4474115 | 0.86 | ESR1 (0.73) | ESR1ESR2PDCD1CD274CA1 | |
| SCHEMBL272384 | 0.86 | CYP3A4 (0.52) | CA1CA2CA9ALDH1A1CA14 | |
| SCHEMBL17073473 | 0.85 | CYP3A4 (0.42) | ESR1ESR2PDCD1CD274CA1 | |
| SCHEMBL15171130 | 0.84 | MAOA (0.46) | ALDH1A1TDP1TYRCPN1CPB2 | |
| Methane SCHEMBL21952122 | 0.84 | ESR1 (0.70) | ESR1ESR2PDCD1CD274CA1 | |
| SCHEMBL17073489 | 0.83 | CYP3A4 (0.41) | ESR1ESR2PDCD1CD274CA1 | |
| SCHEMBL920857 | 0.82 | ESR1 (0.67) | ESR1ESR2PDCD1CD274CA2 | |
| SCHEMBL22663995 | 0.82 | ALDH1A1 (0.59) | CA1CA2CA9ALDH1A1CA14 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-3188051-A | — | — | None | — | — | JP | disclosed |
| JP-3188051-A | — | — | None | — | — | JP | disclosed |
| JP-H03188051-A | PRODUCTION OF 1-(3-AMINOPHENYL)-1-(HYDROXYPHENYL) ETHANE DERIVATIVE | MITSUI TOATSU CHEM INC | 1991-08-16 | — | — | JP | disclosed |
| JP-H03188051-A | PRODUCTION OF 1-(3-AMINOPHENYL)-1-(HYDROXYPHENYL) ETHANE DERIVATIVE | MITSUI TOATSU CHEM INC | 1991-08-16 | — | — | JP | disclosed |