Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | PDE1A | P54750 | 1/20 | 0.38 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.38 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 4/20 | 0.31 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 3/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6296284 | 1.00 | ALDH1A1 (0.38) | ALDH1A1PDE1APDE1BPDE1CSMN1; SMN2 | |
| SCHEMBL7869745 | 0.80 | HCAR2 (0.47) | ALDH1A1SMN1; SMN2RAB9ANPC1MEN1 | |
| SCHEMBL28288915 | 0.76 | ALDH1A1 (0.63) | ALDH1A1SMN1; SMN2RAB9ANPC1MCL1 | |
| SCHEMBL13245829 | 0.73 | ALDH1A1 (0.37) | ALDH1A1PDE1APDE1BPDE1CSMN1; SMN2 | |
| SCHEMBL6296499 | 0.70 | SMN1; SMN2 (0.58) | ALDH1A1SMN1; SMN2RAB9ANPC1MEN1 | |
| SCHEMBL6296497 | 0.70 | SMN1; SMN2 (0.58) | ALDH1A1SMN1; SMN2RAB9ANPC1MEN1 | |
| SCHEMBL13100956 | 0.70 | HCAR2 (0.62) | ALDH1A1SMN1; SMN2RAB9ANPC1MEN1 | |
| SCHEMBL6296291 | 0.69 | KDM4E (0.34) | KDM4E | |
| SCHEMBL6297724 | 0.69 | JAK2 (0.47) | ALDH1A1SMN1; SMN2RAB9ANPC1KMT2A | |
| SCHEMBL6297723 | 0.69 | JAK2 (0.47) | ALDH1A1SMN1; SMN2RAB9ANPC1KMT2A |
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 | ALDH1A1 1219/4885PDE1A 3105/4885PDE1B 3606/4885 |
| US-20050075390-A1 | HIV protease inhibitors | DNPEP, PREP, PEPD | ALDH1A1 1309/4885PDE1A 3274/4885PDE1B 3789/4885 |
“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.