Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD2 | Q9NRG4 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TOP2A | P11388 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.32 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.32 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.32 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.32 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.32 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL6412838 | 1.00 | SMYD2 (0.41) | SMYD2CYP3A4HTTSMN1; SMN2TOP2A | |
| SCHEMBL29946810 | 0.87 | SMYD2 (0.40) | SMYD2CYP3A4HTTSMN1; SMN2MEN1 | |
| SCHEMBL52552 | 0.87 | SMYD2 (0.40) | SMYD2CYP3A4HTTSMN1; SMN2MEN1 | |
| SCHEMBL18026905 | 0.87 | SMYD2 (0.40) | SMYD2CYP3A4HTTSMN1; SMN2MEN1 | |
| SCHEMBL18866542 | 0.85 | SMYD2 (0.43) | SMYD2CYP3A4HTTSMN1; SMN2TOP2A | |
| SCHEMBL7203588 | 0.82 | MEN1 (0.47) | SMYD2CYP3A4HTTSMN1; SMN2MEN1 | |
| SCHEMBL20500291 | 0.82 | MEN1 (0.47) | SMYD2CYP3A4HTTSMN1; SMN2MEN1 | |
| SCHEMBL9886817 | 0.82 | MEN1 (0.47) | SMYD2CYP3A4HTTSMN1; SMN2MEN1 | |
| SCHEMBL31299431 | 0.81 | SMYD2 (0.38) | SMYD2CYP3A4HTTSMN1; SMN2PSEN1 | |
| SCHEMBL31299244 | 0.80 | NAMPT (0.37) | SMYD2SMN1; SMN2 |
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 25 patents — showing the first 20. 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-1434580-A2 | ALLYLAMIDES USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE | Elan Pharmaceuticals, Inc. (US) | 2004-07-07 | — | — | EP | disclosed |
| US-6589962-B1 | Certain alpha -hydroxy- gamma -(((carbocyclic- or heterocyclic- substituted)amino)carbonyl)alkanamide derivatives are described as inhibitors of HIV protease and inhibitors of HIV replication. These compounds are useful in | MERCK & CO., INC. | 2003-07-08 | — | — | US | disclosed |
| WO-2003030886-A2 | ALLYLAMIDES USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE | ELAN PHARMACEUTICALS, INC (US) | 2003-04-17 | — | — | WO | disclosed |
| EP-0617968-B1 | HIV protease inhibitors in pharmaceutical combinations for the treatment of AIDS | MERCK & CO INC (US) | 2003-01-08 | — | — | EP | disclosed |
| EP-1202626-A4 | ALPHA-HYDROXY-GAMMA-[[(CARBOCYCLIC-OR HETEROCYCLIC-SUBSTITUTED)AMINO]CARBONYL]ALKANAMIDE DERIVATIVES AND USES THEREOF | MERCK & CO INC (US) | 2002-10-30 | — | — | EP | disclosed |
| EP-1202626-A1 | ALPHA-HYDROXY-GAMMA-[[(CARBOCYCLIC-OR HETEROCYCLIC-SUBSTITUTED)AMINO]CARBONYL]ALKANAMIDE DERIVATIVES AND USES THEREOF | Merck & Co., Inc. (US) | 2002-05-08 | — | — | EP | disclosed |
| EP-0734387-B1 | HIV PROTEASE INHIBITORS | MERCK & CO INC (US) | 2002-04-10 | — | — | EP | disclosed |
| WO-2001005230-A1 | ALPHA-HYDROXY-GAMMA-[[(CARBOCYCLIC-OR HETEROCYCLIC-SUBSTITUTED)AMINO]CARBONYL]ALKANAMIDE DERIVATIVES AND USES THEREOF | MERCK & CO., INC. (US) | 2001-01-25 | — | — | WO | disclosed |
| US-5807841-A | SYNERGISTIC MIXTURES | MERCK & CO., INC. (US) | 1998-09-15 | — | — | US | disclosed |
| EP-0734387-A1 | HIV PROTEASE INHIBITORS | MERCK & CO. INC. (US) | 1996-10-02 | — | — | EP | 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 |
| WO-1995016688-A1 | HIV PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 1995-06-22 | — | — | WO | 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 |
| EP-0541168-A1 | HIV protease inhibitors useful for the treatment of aids | MERCK & CO. INC. (US) | 1993-05-12 | — | — | EP | 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 | SMYD2 2685/4885CYP3A4 4370/4885HTT 468/4885 |
“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.