Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | KCNA5 | P22460 | 6/20 | 0.42 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.42 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.42 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.42 |
| ▸ | KCND3 | Q9UK17 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5622980 | 0.79 | KCNA5 (0.50) | SLC6A3SLC6A2SLC6A4CYP1A2ALDH1A1 | |
| SCHEMBL1858714 | 0.78 | TSHR (0.57) | SLC6A3SLC6A2SLC6A4CYP1A2ALDH1A1 | |
| SCHEMBL29520732 | 0.78 | TSHR (0.57) | SLC6A3SLC6A2SLC6A4CYP1A2ALDH1A1 | |
| Carbamic Acid SCHEMBL8397235 | 0.77 | CYP1A2 (0.47) | SLC6A3SLC6A2SLC6A4CYP1A2ALDH1A1 | |
| SCHEMBL9185638 | 0.77 | SLC6A3 (0.56) | SLC6A3SLC6A2SLC6A4CYP1A2ALDH1A1 | |
| SCHEMBL30663811 | 0.77 | SLC6A2 (0.47) | SLC6A3SLC6A2SLC6A4CYP1A2ALDH1A1 | |
| SCHEMBL6481541 | 0.77 | SLC6A2 (0.47) | SLC6A3SLC6A2SLC6A4CYP1A2ALDH1A1 | |
| SCHEMBL211788 | 0.77 | SLC6A2 (0.47) | SLC6A3SLC6A2SLC6A4CYP1A2ALDH1A1 | |
| SCHEMBL12488384 | 0.76 | KCNA5 (0.51) | SLC6A3SLC6A2SLC6A4CYP1A2ALDH1A1 | |
| SCHEMBL2584363 | 0.76 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-H1893-H | REACTING A HALOKETONE COMPOUND OR SALT WITH AN OXIDOREDUCTASE ENZYME SUPPLYING MICROORGANISM OR OXIDOREDUCTASE ENZYME CONTAINING MATERIAL OBTAINED FROM THE MICROORGANISM, CATALYZES THE REDUCTION OF HALOKETONE TO FORM HALOHYDROXIDES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-10-03 | — | — | US | disclosed |
| US-5776933-A | Method of inhibiting protease | E. R. SQUIBB & SONS, INC. (US) | 1998-07-07 | — | — | US | disclosed |
| US-5760036-A | ENZYME INHIBITORS OF RETROVIRAL PROTEASE FOR PREVENTION OF AIDS | E. R. SQUIBB & SONS, INC. (US) | 1998-06-02 | — | — | US | disclosed |
| US-5559256-A | Aminediol protease inhibitors | E. R. SQUIBB & SONS, INC. (US) | 1996-09-24 | — | — | US | disclosed |
| EP-0580402-A2 | Aminediol protease inhibitors | E.R. SQUIBB & SONS, INC. (US) | 1994-01-26 | — | — | EP | disclosed |