Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 3/20 | 0.53 |
| ▸ | THRA | P10827 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.53 |
| ▸ | LMNA | P02545 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.51 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.51 |
| ▸ | HTR2A | P28223 | 1/20 | 0.51 |
| ▸ | SCN1A | P35498 | 1/20 | 0.51 |
| ▸ | HTR2B | P41595 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.51 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | USP2 | O75604 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL9505612 | 0.79 | THRB (0.63) | THRBTHRAALDH1A1LMNAKMT2A | |
| SCHEMBL7331718 | 0.78 | HTR1A (0.64) | THRBTHRAALDH1A1LMNAKMT2A | |
| SCHEMBL7337997 | 0.76 | THRB (0.54) | THRBTHRAALDH1A1LMNAKMT2A | |
| SCHEMBL7335005 | 0.76 | THRB (0.54) | THRBTHRAALDH1A1LMNAKMT2A | |
| SCHEMBL7337992 | 0.76 | ALDH1A1 (0.51) | THRBTHRAALDH1A1LMNAKMT2A | |
| SCHEMBL29508217 | 0.75 | ALDH1A1 (0.88) | THRBTHRAALDH1A1LMNAKMT2A | |
| SCHEMBL4687657 | 0.75 | ALDH1A1 (0.55) | THRBTHRAALDH1A1LMNAKMT2A | |
| SCHEMBL14006227 | 0.74 | EPHX2 (0.65) | THRBALDH1A1LMNAKMT2AMAPT | |
| SCHEMBL9505618 | 0.73 | THRB (0.60) | THRBTHRAALDH1A1LMNAKMT2A | |
| SCHEMBL6138524 | 0.72 | HDAC1 (0.54) | ALDH1A1KMT2AHRH3SMN1; SMN2GAA |
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 1 patent. 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 | disclosed |