Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.40 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.40 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL8378631 | 1.00 | TSHR (0.40) | TSHRALDH1A1SMN1; SMN2ADRA2BADRA2C | |
| SCHEMBL9709386 | 0.84 | TRPA1 (0.39) | TSHRALDH1A1SMN1; SMN2ADRA2BADRA2C | |
| SCHEMBL5168408 | 0.82 | SIGMAR1 (0.41) | TSHRALDH1A1SMN1; SMN2ADRA2BADRA2C | |
| SCHEMBL5169753 | 0.82 | SIGMAR1 (0.41) | TSHRALDH1A1SMN1; SMN2ADRA2BADRA2C | |
| SCHEMBL5171350 | 0.82 | SIGMAR1 (0.41) | TSHRALDH1A1SMN1; SMN2ADRA2BADRA2C | |
| SCHEMBL5171075 | 0.82 | SIGMAR1 (0.41) | TSHRALDH1A1SMN1; SMN2ADRA2BADRA2C | |
| Hydrochloric Acid SCHEMBL5170563 | 0.81 | SIGMAR1 (0.40) | TSHRALDH1A1SMN1; SMN2ADRA2BADRA2C | |
| SCHEMBL7456355 | 0.81 | SIGMAR1 (0.40) | TSHRALDH1A1SMN1; SMN2ADRA2BADRA2C | |
| Hydrochloric Acid SCHEMBL5169015 | 0.81 | SIGMAR1 (0.40) | TSHRALDH1A1SMN1; SMN2ADRA2BADRA2C | |
| SCHEMBL8950842 | 0.80 | TSHR (0.44) | TSHRALDH1A1SMN1; SMN2ADRA2BADRA2C |
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-0796239-B1 | PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE (S,S) AMINOEPOXIDES, KEY INTERMEDIATES FOR HIV PROTEASE INHIBITORS, VIA THEIR CHLOROHYDRINES | BOEHRINGER INGELHEIM CA LTD (CA) | 1999-03-31 | — | — | EP | disclosed |
| US-5550291-A | Process for key intermediates for HIV protease inhibitors | BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH, INC. (CA) | 1996-08-27 | — | — | US | disclosed |