Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.77 |
| ▸ | GAA | P10253 | 5/20 | 0.64 |
| ▸ | POLB | P06746 | 2/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.57 |
| ▸ | MEN1 | O00255 | 3/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL5370512 | 0.81 | KMT2A (0.59) | ALDH1A1GAAPOLBKMT2AMEN1 | |
| SCHEMBL7222886 | 0.78 | KMT2A (0.71) | ALDH1A1GAAPOLBKMT2AMEN1 | |
| SCHEMBL23951678 | 0.75 | GAA (0.85) | ALDH1A1GAAPOLBKMT2AMEN1 | |
| SCHEMBL22462992 | 0.74 | NPSR1 (0.81) | ALDH1A1NPSR1KMT2AMEN1MAPT | |
| SCHEMBL7303045 | 0.74 | NPSR1 (0.81) | ALDH1A1NPSR1KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL4927471 | 0.74 | HDAC3 (0.79) | ALDH1A1POLBKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL23951675 | 0.74 | KMT2A (0.67) | ALDH1A1GAAPOLBKMT2AMEN1 | |
| SCHEMBL17117483 | 0.74 | ALDH1A1 (0.66) | ALDH1A1GAANPSR1SMN1; SMN2CYP2C19 | |
| SCHEMBL5369479 | 0.73 | POLB (0.78) | ALDH1A1POLBKMT2ASMN1; SMN2CYP2C19 | |
| SCHEMBL7414475 | 0.73 | KDM4E (0.60) | ALDH1A1GAANPSR1KMT2AMEN1 |
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-7259157-B2 | N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists | MERCK & CO., INC. (US) | 2007-08-21 | — | — | US | disclosed |
| US-20040204341-A1 | Nr2b receptor antagonists for the treatment or prevention of migraines | ALLEN CHRISTOPHER (US) | 2004-10-14 | — | — | US | disclosed |
| EP-1399160-A4 | NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES | MERCK & CO INC (US) | 2004-08-25 | — | — | EP | disclosed |
| EP-1399160-A2 | NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES | Merck & Co., Inc. (US) | 2004-03-24 | — | — | EP | disclosed |
| US-20030119811-A1 | N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists | MERCK SHARP & DOHME CORP. | 2003-06-26 | — | — | US | disclosed |
| WO-2002100352-A2 | NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES | MERCK & CO., INC. (US) | 2002-12-19 | — | — | 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-20040204341-A1 | Nr2b receptor antagonists for the treatment or prevention of migraines | HTR1B, HTR2B, HTR1A | ALDH1A1 941/4885GAA 3932/4885POLB 3223/4885 |
| US-20030119811-A1 | N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists | GRIN1, GRIN2B, GRIN2A | ALDH1A1 1384/4885GAA 4319/4885POLB 4217/4885 |
“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.