Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.62 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.62 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.56 |
| ▸ | TACR2 | P21452 | 2/20 | 0.56 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.56 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | SHBG | P04278 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.56 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.56 |
| ▸ | HTR2C | P28335 | 1/20 | 0.56 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.56 |
| ▸ | TST | Q16762 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL10667653 | 0.93 | ESR1 (0.59) | ESR1ESR2ADRA2ASLC6A2ADORA3 | |
| SCHEMBL10667336 | 0.91 | ESR1 (0.63) | ESR1ESR2ADRA2ASLC6A2ADORA3 | |
| SCHEMBL98202 | 0.84 | ESR1 (0.68) | ESR1ESR2ADRA2ASLC6A2ADORA3 | |
| SCHEMBL1171041 | 0.84 | ESR1 (0.77) | ESR1ESR2ADRA2ASLC6A2ADORA3 | |
| SCHEMBL245139 | 0.84 | ESR1 (0.77) | ESR1ESR2ADRA2ASLC6A2ADORA3 | |
| SCHEMBL449737 | 0.84 | ESR1 (0.77) | ESR1ESR2ADRA2ASLC6A2ADORA3 | |
| SCHEMBL7784766 | 0.81 | ESR1 (0.77) | ESR1ESR2ADRA2ASLC6A2ADORA3 | |
| SCHEMBL1447579 | 0.81 | ESR1 (0.77) | ESR1ESR2ADRA2ASLC6A2ADORA3 | |
| SCHEMBL8398450 | 0.81 | ESR1 (0.77) | ESR1ESR2ADRA2ASLC6A2ADORA3 | |
| SCHEMBL9165397 | 0.81 | ESR1 (0.77) | ESR1ESR2ADRA2ASLC6A2ADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0443573-A2 | HIV protease inhibitors containing derived amino acids | BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) | 1991-08-28 | — | — | EP | claimed |
| EP-0443560-A2 | HIV protease inhibitors | BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) | 1991-08-28 | — | — | EP | claimed |
| EP-0443573-A2 | HIV protease inhibitors containing derived amino acids | BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) | 1991-08-28 | — | — | EP | disclosed |
| EP-0443560-A2 | HIV protease inhibitors | BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) | 1991-08-28 | — | — | EP | disclosed |