Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 16/20 | 0.67 |
| ▸ | ESR2 | Q92731 | 11/20 | 0.67 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.60 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.60 |
| ▸ | PSMB2 | P49721 | 1/20 | 0.60 |
| ▸ | LTA4H | P09960 | 2/20 | 0.55 |
| ▸ | MLNR | O43193 | 1/20 | 0.55 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.55 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.55 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.55 |
| ▸ | HTR1A | P08908 | 1/20 | 0.55 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.55 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.55 |
| ▸ | DRD2 | P14416 | 1/20 | 0.55 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.55 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.55 |
| ▸ | DRD1 | P21728 | 1/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.55 |
| ▸ | HTR2A | P28223 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL7442171 | 0.93 | ESR1 (0.59) | ESR1ESR2PSMB1PSMB5PSMB2 | |
| SCHEMBL229218 | 0.90 | ESR1 (0.58) | ESR1ESR2PSMB1PSMB5PSMB2 | |
| SCHEMBL228266 | 0.90 | ESR1 (0.64) | ESR1ESR2LTA4HMLNRABCB11 | |
| SCHEMBL7810035 | 0.89 | ESR1 (0.55) | ESR1ESR2PSMB1PSMB5PSMB2 | |
| SCHEMBL7439386 | 0.88 | F2 (0.67) | ESR1ESR2HRH3 | |
| SCHEMBL7502080 | 0.87 | F2 (0.66) | ESR1ESR2LTA4H | |
| SCHEMBL7437027 | 0.87 | ESR1 (0.54) | ESR1ESR2PSMB1PSMB5PSMB2 | |
| SCHEMBL7348199 | 0.87 | ESR1 (0.65) | ESR1ESR2PSMB1PSMB5PSMB2 | |
| SCHEMBL7444713 | 0.87 | ESR1 (0.53) | ESR1ESR2PSMB1PSMB5PSMB2 | |
| SCHEMBL7437099 | 0.87 | F2 (0.68) | ESR1ESR2HRH3 |
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-1220847-A2 | PROCESS FOR PREPARING BENZOIC ACIDS | ELI LILLY AND COMPANY (US) | 2002-07-10 | — | — | EP | disclosed |
| WO-2001023369-A2 | PROCESS FOR PREPARING BENZOIC ACIDS | ELI LILLY AND COMPANY (US) | 2001-04-05 | — | — | WO | disclosed |