Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | GRIK1 | P39086 | 3/20 | 0.39 |
| ▸ | GRIK2 | Q13002 | 3/20 | 0.39 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.39 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.39 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2980666 | 1.00 | CHRM1 (0.42) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL2968771 | 0.85 | CA2 (0.49) | GRIK1GRIK2SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL2968542 | 0.83 | CA1 (0.36) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL2968539 | 0.83 | CA1 (0.36) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL2972018 | 0.80 | CA2 (0.35) | GRIK1GRIK2SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL2983954 | 0.80 | CA2 (0.35) | GRIK1GRIK2SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL2972022 | 0.80 | CA2 (0.35) | GRIK1GRIK2SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL14434881 | 0.80 | CHRM1 (0.48) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL2973406 | 0.75 | GRIK1 (0.36) | CHRM1CHRM3GRIK1GRIK2CPA1 | |
| SCHEMBL2973400 | 0.75 | GRIK1 (0.36) | CHRM1CHRM3GRIK1GRIK2CPA1 |
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-7772221-B2 | Diaminopropane derived macrocycles as inhibitors of β amyloid production | BRISTOL-MEYERS SQUIBB COMPANY (US) | 2010-08-10 | — | — | US | disclosed |
| US-20080194535-A1 | DIAMINOPROPANE DERIVED MACROCYCLES AS INHIBITORS OF BETA AMYLOID PRODUCTION | BRISTOL-MYERS SQUIBB COMPANY | 2008-08-14 | — | — | 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-20080194535-A1 | DIAMINOPROPANE DERIVED MACROCYCLES AS INHIBITORS OF BETA AMYLOID PRODUCTION | APP, BACE1, BACE2 | CHRM1 655/4885AKR1A1 2290/4885CHRM3 2169/4885 |
“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.