Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 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 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | THRB | P10828 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | USP2 | O75604 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7331713 | 0.77 | ALDH1A1 (0.56) | ALDH1A1MAPK1CYP1A2CHRM2CHRM1 | |
| SCHEMBL10376 | 0.76 | SMN1; SMN2 (0.58) | ALDH1A1MAPK1CYP1A2CHRM2CHRM1 | |
| SCHEMBL7338549 | 0.76 | ALDH1A1 (0.51) | ALDH1A1MAPK1CYP1A2CHRM2CHRM1 | |
| SCHEMBL7338536 | 0.76 | ALDH1A1 (0.51) | ALDH1A1MAPK1CYP1A2CHRM2CHRM1 | |
| SCHEMBL7338002 | 0.76 | THRB (0.53) | ALDH1A1MAPK1CYP1A2CHRM2CHRM1 | |
| SCHEMBL7335011 | 0.76 | ALDH1A1 (0.51) | ALDH1A1MAPK1CYP1A2CHRM2CHRM1 | |
| SCHEMBL7335004 | 0.76 | ALDH1A1 (0.51) | ALDH1A1MAPK1CYP1A2CHRM2CHRM1 | |
| SCHEMBL29508217 | 0.75 | ALDH1A1 (0.88) | ALDH1A1MAPK1CYP1A2CHRM2CHRM1 | |
| SCHEMBL10625 | 0.73 | HRH3 (0.61) | ALDH1A1MAPK1CYP1A2CHRM2CHRM1 | |
| SCHEMBL863648 | 0.73 | ALDH1A1 (0.60) | ALDH1A1MAPK1CYP1A2CHRM2CHRM1 |
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 |