Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 18/20 | 0.38 |
| ▸ | LDHB | P07195 | 9/20 | 0.37 |
| ▸ | MLNR | O43193 | 1/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | CTSD | P07339 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | PGA5 | P0DJD9 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | CTSE | P14091 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.35 |
| ▸ | CCKAR | P32238 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7998725 | 0.94 | LDHA (0.34) | LDHALDHBMLNRNR1I2ABCB11 | |
| SCHEMBL7758845 | 0.88 | LDHA (0.48) | LDHALDHB | |
| SCHEMBL8008687 | 0.80 | LDHA (0.41) | LDHALDHB | |
| SCHEMBL7450770 | 0.79 | LDHA (0.36) | LDHALDHBMLNRNR1I2ABCB11 | |
| SCHEMBL8008478 | 0.79 | LDHA (0.33) | LDHALDHB | |
| SCHEMBL6302726 | 0.79 | SLC6A3 (0.38) | LDHALDHBMLNRNR1I2ABCB11 | |
| SCHEMBL6302730 | 0.79 | SLC6A3 (0.38) | LDHALDHBMLNRNR1I2ABCB11 | |
| SCHEMBL8010519 | 0.79 | LDHA (0.32) | LDHALDHB | |
| SCHEMBL8011494 | 0.77 | LDHA (0.33) | LDHALDHB | |
| SCHEMBL8014780 | 0.77 | LDHA (0.32) | LDHA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |