Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 3/20 | 0.54 |
| ▸ | THRA | P10827 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.52 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.52 |
| ▸ | HTR2A | P28223 | 1/20 | 0.52 |
| ▸ | SCN1A | P35498 | 1/20 | 0.52 |
| ▸ | HTR2B | P41595 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.52 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.52 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.52 |
| ▸ | HRH2 | P25021 | 1/20 | 0.52 |
| ▸ | HRH1 | P35367 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL7335005 | 1.00 | THRB (0.54) | THRBTHRAALDH1A1LMNAMAPT | |
| SCHEMBL9505612 | 0.84 | THRB (0.63) | THRBTHRAALDH1A1LMNAMAPT | |
| SCHEMBL7331718 | 0.83 | HTR1A (0.64) | THRBTHRAALDH1A1LMNAMAPT | |
| SCHEMBL14006227 | 0.79 | EPHX2 (0.65) | THRBALDH1A1LMNAMAPTKMT2A | |
| SCHEMBL15648875 | 0.78 | ALDH1A1 (0.59) | ALDH1A1LMNAMAPK1CYP1A2CHRM2 | |
| SCHEMBL15648881 | 0.78 | ALDH1A1 (0.59) | ALDH1A1LMNAMAPK1CYP1A2CHRM2 | |
| SCHEMBL7335004 | 0.76 | ALDH1A1 (0.51) | THRBTHRAALDH1A1LMNAMAPT | |
| SCHEMBL7338002 | 0.76 | THRB (0.53) | THRBTHRAALDH1A1LMNAMAPT | |
| SCHEMBL7338536 | 0.76 | ALDH1A1 (0.51) | THRBTHRAALDH1A1LMNAMAPT | |
| SCHEMBL7338549 | 0.76 | ALDH1A1 (0.51) | THRBTHRAALDH1A1LMNAMAPT |
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-0434365-A2 | HIV protease inhibitors useful for the treatment of aids | MERCK & CO. INC. (US) | 1991-06-26 | — | — | EP | claimed |
| EP-0434365-A2 | HIV protease inhibitors useful for the treatment of aids | MERCK & CO. INC. (US) | 1991-06-26 | — | — | EP | disclosed |