Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6604584 | 0.75 | TAAR1 (0.40) | ALDH1A1HTT | |
| SCHEMBL6605223 | 0.72 | TAS2R14 (0.41) | ALDH1A1 | |
| SCHEMBL6604723 | 0.71 | ALDH1A1 (0.46) | ALDH1A1HTTHPGD | |
| SCHEMBL6604221 | 0.70 | PTGS2 (0.44) | ALDH1A1HPGD | |
| SCHEMBL10886550 | 0.70 | FFAR4 (0.38) | ALDH1A1HTT | |
| SCHEMBL6952517 | 0.70 | ALDH1A1 (0.35) | ALDH1A1HTT | |
| SCHEMBL6602940 | 0.68 | CYP3A4 (0.46) | ALDH1A1 | |
| SCHEMBL6961692 | 0.67 | ALDH1A1 (0.38) | ALDH1A1 | |
| SCHEMBL6604230 | 0.66 | ALDH1A1 (0.41) | ALDH1A1HTT | |
| SCHEMBL6603748 | 0.66 | IDH1 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0729463-B1 | 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS | PARKE DAVIS & CO (US) | 2002-05-22 | — | — | EP | disclosed |
| US-5936128-A | BENZENETHIOL COMPOUNDS AS INTERMEDIATES; BACTERICIDES, VIRICIDES; HIV | WARNER-LAMBERT COMPANY (US) | 1999-08-10 | — | — | US | disclosed |
| US-5840751-A | ADMINISTERING IN THE TREATMENT OF INFECTION OR DISEASE CAUSED BY A RETROVIRUS | WARNER-LAMBERT COMPANY (US) | 1998-11-24 | — | — | US | disclosed |
| US-5789440-A | 5,6-dihydropyrone derivatives as protease inhibitors and antiviral agents | WARNER-LAMBERT COMPANY (US) | 1998-08-04 | — | — | US | disclosed |
| EP-0729463-A1 | 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS | PARKE DAVIS & COMPANY (US) | 1996-09-04 | — | — | EP | disclosed |