Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PTPRB | P23467 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7366153 | 0.84 | KDM4E (0.46) | ALDH1A1KDM4EPOLBL3MBTL1TSHR | |
| SCHEMBL1691485 | 0.81 | ALDH1A1 (0.52) | ALDH1A1KDM4EPOLBL3MBTL1TSHR | |
| SCHEMBL29360497 | 0.79 | ALDH1A1 (0.50) | ALDH1A1KDM4EPOLBL3MBTL1TSHR | |
| SCHEMBL1691754 | 0.78 | KDM4E (0.53) | ALDH1A1KDM4EPOLBL3MBTL1TSHR | |
| SCHEMBL12266017 | 0.77 | KDM4E (0.49) | ALDH1A1KDM4EPOLBL3MBTL1TSHR | |
| SCHEMBL3545416 | 0.76 | KDM4E (0.51) | ALDH1A1KDM4EPOLBL3MBTL1TSHR | |
| SCHEMBL17709304 | 0.76 | ALDH1A1 (0.53) | ALDH1A1KDM4EPOLBL3MBTL1TSHR | |
| SCHEMBL31397663 | 0.76 | KDM4E (0.51) | ALDH1A1KDM4EPOLBL3MBTL1TSHR | |
| SCHEMBL5340682 | 0.76 | PPARA (0.52) | TSHRPPARACTSSKMT2A | |
| SCHEMBL8539666 | 0.76 | MEN1 (0.43) | SMN1; SMN2MAPK1KMT2ATDP1GRM5 |
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 |
|---|---|---|---|---|---|---|---|
| US-5187074-A | Protease inhibitor from streptomyces culture; for prevention or treatment of AIDS or human T-cell leukemia/lymphoma viruses | MERCK & CO., INC. (US) | 1993-02-16 | — | — | US | disclosed |
| EP-0480624-A1 | Inhibitors of HIV protease | MERCK & CO. INC. (US) | 1992-04-15 | — | — | EP | disclosed |