Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | PBK | Q96KB5 | 1/20 | 0.41 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.41 |
| ▸ | VCP | P55072 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7560891 | 0.83 | CYP2C19 (0.44) | PDE5APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7086561 | 0.80 | IDO1 (0.67) | IDO1KMT2AMEN1GRIN2BHTR2B | |
| SCHEMBL7085424 | 0.80 | IDO1 (0.67) | IDO1KMT2AMEN1GRIN2BHTR2B | |
| SCHEMBL7085421 | 0.80 | IDO1 (0.67) | IDO1KMT2AMEN1GRIN2BHTR2B | |
| SCHEMBL7562851 | 0.78 | ALDH1A1 (0.48) | KMT2A | |
| SCHEMBL7562860 | 0.78 | ALDH1A1 (0.48) | KMT2A | |
| SCHEMBL3872403 | 0.76 | GRIN2B (0.56) | KMT2AMEN1GRIN2BHTR2B | |
| SCHEMBL29535177 | 0.72 | CHRM1 (0.61) | KMT2ADAGLANUDT1 | |
| SCHEMBL7543801 | 0.72 | PARP1 (0.55) | IDO1KMT2AMEN1 | |
| SCHEMBL3967813 | 0.71 | NUDT1 (0.55) | PDE5AKMT2ADRD4NUDT1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6495561-B2 | TREATING MIGRAINE, DEPRESSION, ANXIETY, SCHIZOPHRENIA, PARKINSON'S DISEASE, OR STROKE | MERCK & CO., INC. | 2002-12-17 | — | — | US | disclosed |
| US-20020055519-A1 | 2-cyclohexyl imidazopyridine NMDA/NR2B antagonists | MERCK SHARP & DOHME CORP. | 2002-05-09 | — | — | US | 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-20020055519-A1 | 2-cyclohexyl imidazopyridine NMDA/NR2B antagonists | GRIN2C, GRIN1, GRIN3A | PDE5A 4469/4885PDE4A 3244/4885PDE4B 4181/4885 |
“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.