Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | ENPP2 | Q13822 | 10/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.34 |
| ▸ | PDE9A | O76083 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL6414286 | 0.84 | CHRM3 (0.42) | CHRM3 | |
| SCHEMBL12416119 | 0.83 | ALDH1A1 (0.41) | KDM4EALDH1A1HSD17B10ENPP2MEN1 | |
| Trifluoroacetic Acid SCHEMBL9054206 | 0.82 | KDM4E (0.36) | KDM4EALDH1A1HSD17B10ENPP2CHRM3 | |
| SCHEMBL6412321 | 0.78 | CHRM3 (0.46) | CHRM3 | |
| SCHEMBL10304669 | 0.77 | UCHL1 (0.41) | KDM4EALDH1A1HSD17B10ENPP2MEN1 | |
| SCHEMBL7420053 | 0.75 | KCNH2 (0.41) | CHRM3L3MBTL1 | |
| SCHEMBL10025291 | 0.74 | MEN1 (0.40) | KDM4EALDH1A1HSD17B10ENPP2MEN1 | |
| SCHEMBL13969530 | 0.72 | MEN1 (0.41) | KDM4EALDH1A1HSD17B10ENPP2MEN1 | |
| SCHEMBL8262085 | 0.72 | UCHL1 (0.44) | KDM4EALDH1A1HSD17B10ENPP2HCRTR1 | |
| SCHEMBL28501814 | 0.72 | UCHL1 (0.44) | KDM4EALDH1A1HSD17B10ENPP2HCRTR1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050027007-A1 | Allylamides useful in the treatment of alzheimer's disease | ELAN PHARMACEUTICALS, INC. | 2005-02-03 | — | — | US | disclosed |
| EP-0617968-B1 | HIV protease inhibitors in pharmaceutical combinations for the treatment of AIDS | MERCK & CO INC (US) | 2003-01-08 | — | — | EP | disclosed |
| US-5717097-A | N-(2(R)-HYDROXY-1(S)-INDANYL)-2(R)-PHENYLMETHYL-4(S)-(HYDROXY) -5-SUBSTITUTED-N'-(T-BUTYLCARBAMOYL)PIPERAZINYL))PENTANEAMIDE COMPOUNDS | MERCK & CO., INC. (US) | 1998-02-10 | — | — | US | disclosed |
| US-5668132-A | HIV Protease inhibitors useful for the treatment of AIDS | MERCK & CO., INC. (US) | 1997-09-16 | — | — | US | disclosed |
| US-5527799-A | ADMINISTERING MIXTURE OF TWO COMPOUNDS AND OPTIONAL AZT | MERCK & CO., INC. (US) | 1996-06-18 | — | — | US | disclosed |
| EP-0696277-A1 | HIV PROTEASE INHIBITORS USEFUL FOR THE TREATMENT OF AIDS | MERCK & CO. INC. (US) | 1996-02-14 | — | — | EP | disclosed |
| US-5413999-A | structure is piperazine containing amides | MERCK & CO., INC. (US) | 1995-05-09 | — | — | US | disclosed |
| WO-1994026717-A1 | HIV PROTEASE INHIBITORS USEFUL FOR THE TREATMENT OF AIDS | MERCK & CO., INC. (US) | 1994-11-24 | — | — | WO | disclosed |
| WO-1994022480-A1 | HIV PROTEASE INHIBITORS IN PHARMACEUTICAL COMBINATIONS FOR THE TREATMENT OF AIDS | MERCK & CO., INC. (US) | 1994-10-13 | — | — | WO | disclosed |
| EP-0617968-A1 | HIV protease inhibitors in pharmaceutical combinant for the treatment of AIDS | MERCK & CO. INC. (US) | 1994-10-05 | — | — | EP | disclosed |
| WO-1993009096-A1 | HIV PROTEASE INHIBITORS USEFUL FOR THE TREATMENT OF AIDS | MERCK & CO., INC. (US) | 1993-05-13 | — | — | 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 (1 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-20050027007-A1 | Allylamides useful in the treatment of alzheimer's disease | BACE1, BACE2, APBA1 | KDM4E 3540/4885ALDH1A1 1362/4885HSD17B10 1122/4885 |
“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.