Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.52 |
| ▸ | CASP3 | P42574 | 1/20 | 0.52 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.52 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.52 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.52 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.51 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.51 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.51 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.51 |
| ▸ | AR | P10275 | 4/20 | 0.48 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.46 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29451808 | 0.83 | PDK1 (0.50) | ALDH1A1PDK1PDK2PDK3PDK4 | |
| SCHEMBL8936699 | 0.80 | MAPT (0.51) | MAPK1ALDH1A1PDK1PDK2PDK3 | |
| SCHEMBL6303134 | 0.80 | PDK1 (0.47) | MAPK1HTTALDH1A1GLAPDK1 | |
| SCHEMBL19022324 | 0.79 | MEN1 (0.43) | NPC1MAPK1RAB9AHTTALDH1A1 | |
| SCHEMBL29659895 | 0.77 | KCNMA1 (0.63) | NPC1MAPK1RAB9AHTTALDH1A1 | |
| SCHEMBL22262383 | 0.77 | KCNMA1 (0.63) | NPC1MAPK1RAB9AHTTALDH1A1 | |
| SCHEMBL2554351 | 0.77 | RECQL (0.52) | NPC1MAPK1RAB9AHTTALDH1A1 | |
| SCHEMBL5103222 | 0.76 | PDK1 (0.71) | NPC1RAB9AALDH1A1PDK1PDK2 | |
| SCHEMBL30093275 | 0.76 | PDK1 (0.71) | NPC1RAB9AALDH1A1PDK1PDK2 | |
| SCHEMBL9762475 | 0.75 | NPSR1 (0.47) | MAPK1HTTALDH1A1GLAPDK1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 | NPC1 787/4885MAPK1 2780/4885RAB9A 3077/4885 |
| US-20050075390-A1 | HIV protease inhibitors | DNPEP, PREP, PEPD | NPC1 754/4885MAPK1 2779/4885RAB9A 3024/4885 |
“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.