Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 10/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | LDHB | P07195 | 2/20 | 0.32 |
| ▸ | MLNR | O43193 | 1/20 | 0.30 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.30 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.30 |
| ▸ | PGR | P06401 | 1/20 | 0.30 |
| ▸ | CTSD | P07339 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | PGA5 | P0DJD9 | 1/20 | 0.30 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
| ▸ | CTSE | P14091 | 1/20 | 0.30 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
| ▸ | DRD1 | P21728 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL6296833 | 1.00 | LDHA (0.33) | LDHASLC6A3CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL6296658 | 0.94 | — | — | |
| SCHEMBL6296566 | 0.93 | — | — | |
| SCHEMBL6298404 | 0.90 | LDHA (0.31) | LDHA | |
| SCHEMBL6296457 | 0.87 | LDHA (0.34) | LDHASLC6A3LDHBMLNRNR1I2 | |
| SCHEMBL6302726 | 0.87 | SLC6A3 (0.38) | LDHASLC6A3CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL6302730 | 0.87 | SLC6A3 (0.38) | LDHASLC6A3CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL6303069 | 0.86 | SRD5A2 (0.33) | LDHALDHB | |
| SCHEMBL6296927 | 0.85 | SLC6A3 (0.34) | LDHASLC6A3CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL6296926 | 0.85 | SLC6A3 (0.34) | LDHASLC6A3CYP2D6SLC6A2SLC6A4 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040106606-A1 | HIV protease inhibitors | BOYER FREDERICK EARL (US) | 2004-06-03 | — | — | US | claimed |
| US-6528510-B1 | Dihydropyrones with tethered heterocycles; 3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsulfanyl)-4-hydroxy-6 -isopropyl-6-(2-pyridin-4-yl-ethyl)-5,6-dihydro-pyran - 2-one; | WARNER-LAMBERT COMPANY | 2003-03-04 | — | — | US | claimed |
| US-20050075390-A1 | HIV protease inhibitors | AGOURON PHARMACEUTICALS, INC. | 2005-04-07 | — | — | US | disclosed |
| US-6852711-B2 | Novel dihydropyrones with tethered heterocycles having improved pharmacologic properties which potently inhibit the HIV aspartyl protease blocking HIV infectivity. The dihydropyrones are useful in the development of therapies for | AGOURON PHARMACEUTICALS, INC. (US) | 2005-02-08 | — | — | US | disclosed |
| US-20040106606-A1 | HIV protease inhibitors | BOYER FREDERICK EARL (US) | 2004-06-03 | — | — | US | disclosed |
| US-6528510-B1 | Dihydropyrones with tethered heterocycles; 3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsulfanyl)-4-hydroxy-6 -isopropyl-6-(2-pyridin-4-yl-ethyl)-5,6-dihydro-pyran - 2-one; | WARNER-LAMBERT COMPANY | 2003-03-04 | — | — | US | disclosed |
| EP-1112269-A2 | HIV PROTEASE INHIBITORS | WARNER-LAMBERT COMPANY (US) | 2001-07-04 | — | — | EP | disclosed |
| WO-2000015634-A2 | HIV PROTEASE INHIBITORS | WARNER-LAMBERT COMPANY (US) | 2000-03-23 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040106606-A1 | HIV protease inhibitors | DNPEP, PREP, PEPD | LDHA 1807/4885SLC6A3 2706/4885CYP2D6 604/4885 |
| US-20050075390-A1 | HIV protease inhibitors | DNPEP, PREP, PEPD | LDHA 1791/4885SLC6A3 2736/4885CYP2D6 678/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.