Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FPR2 | P25090 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14374830 | 0.84 | MMP3 (0.32) | CA1MMP3MMP9 | |
| SCHEMBL14374728 | 0.84 | GRN (0.36) | — | |
| SCHEMBL14374894 | 0.83 | GRN (0.33) | — | |
| SCHEMBL12670717 | 0.83 | GRN (0.33) | — | |
| SCHEMBL22872358 | 0.83 | CTSS (0.31) | CTSSCTSK | |
| SCHEMBL13127084 | 0.83 | CTSS (0.31) | CTSSCTSK | |
| SCHEMBL22300844 | 0.82 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL14374870 | 0.81 | CTSS (0.31) | CTSS | |
| SCHEMBL14374880 | 0.81 | LMNA (0.38) | CTSSCTSKTSHRNPSR1KDM4E | |
| SCHEMBL14374740 | 0.81 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110237785-A1 | SPATIALLY-DEFINED MACROCYCLIC COMPOUNDS USEFUL FOR DRUG DISCOVERY | MALLINCKRODT CARRIBEAN, INC. | 2011-09-29 | — | — | US | disclosed |
| US-8022252-B2 | Spatially-defined macrocyclic compounds useful for drug discovery | TRANZYME PHARMA INC. (CA) | 2011-09-20 | — | — | US | disclosed |
| US-20090137817-A1 | SPATIALLY-DEFINED MACROCYCLIC COMPOUNDS USEFUL FOR DRUG DISCOVERY | TRANZYME PHARMA INC. | 2009-05-28 | — | — | 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 (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-20110237785-A1 | SPATIALLY-DEFINED MACROCYCLIC COMPOUNDS USEFUL FOR DRUG DISCOVERY | MLNR, GIPR, CCKAR | FPR2 530/4885HDAC7 1012/4885HDAC8 798/4885 |
| US-20090137817-A1 | SPATIALLY-DEFINED MACROCYCLIC COMPOUNDS USEFUL FOR DRUG DISCOVERY | MLNR, GIPR, CCKAR | FPR2 530/4885HDAC7 1012/4885HDAC8 798/4885 |
“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.