Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC13A5 | Q86YT5 | 9/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | F13A1 | P00488 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7998721 | 1.00 | SLC13A5 (0.46) | SLC13A5CA2CAMK2AESR1ESR2 | |
| SCHEMBL6302904 | 0.87 | SLC13A5 (0.49) | SLC13A5KDM4EALDH1A1 | |
| SCHEMBL6695081 | 0.87 | SLC13A5 (0.49) | SLC13A5KDM4EALDH1A1 | |
| SCHEMBL6692391 | 0.87 | SLC13A5 (0.49) | SLC13A5KDM4EALDH1A1 | |
| SCHEMBL6297597 | 0.86 | SLC13A5 (0.44) | SLC13A5ALDH1A1CYP3A4 | |
| SCHEMBL8008239 | 0.86 | SLC13A5 (0.44) | SLC13A5 | |
| SCHEMBL6692548 | 0.86 | SLC13A5 (0.44) | SLC13A5ALDH1A1CYP3A4 | |
| SCHEMBL6691221 | 0.86 | SLC13A5 (0.44) | SLC13A5ALDH1A1CYP3A4 | |
| SCHEMBL6297833 | 0.84 | SLC13A5 (0.49) | SLC13A5KDM4E | |
| SCHEMBL7998501 | 0.84 | KDM4E (0.40) | ESR1ESR2KDM4EF13A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0935597-A2 | DIHYDROPYRONES WITH IMPROVED ANTIVIRAL ACTIVITY | WARNER-LAMBERT COMPANY (US) | 1999-08-18 | — | — | EP | claimed |
| WO-1998019997-A2 | DIHYDROPYRONES WITH IMPROVED ANTIVIRAL ACTIVITY | WARNER-LAMBERT COMPANY (US) | 1998-05-14 | — | — | WO | claimed |
| US-6046355-A | TOLUENE-4-THIOSULFONIC ACID S-ESTERS AS CHEMICAL INTERMEDIATES FOR VIRICIDES AND ASPARTYL PROTEASE INHIBITORS; AIDS | WARNER-LAMBERT COMPANY (US) | 2000-04-04 | — | — | US | disclosed |
| EP-0935597-A2 | DIHYDROPYRONES WITH IMPROVED ANTIVIRAL ACTIVITY | WARNER-LAMBERT COMPANY (US) | 1999-08-18 | — | — | EP | disclosed |
| US-5834506-A | TREATMENT OF HIV, AIDS; ANTIVIRAL ACTIVITY IMPROVED BY JUDICIOUS PLACEMENT OF POLAR SUBSTITUENTS | WARNER-LAMBERT COMPANY (US) | 1998-11-10 | — | — | US | disclosed |
| WO-1998019997-A2 | DIHYDROPYRONES WITH IMPROVED ANTIVIRAL ACTIVITY | WARNER-LAMBERT COMPANY (US) | 1998-05-14 | — | — | WO | disclosed |