Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MME | P08473 | 2/20 | 0.32 |
| ▸ | ACE | P12821 | 2/20 | 0.32 |
| ▸ | CPA1 | P15085 | 2/20 | 0.32 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.32 |
| ▸ | FPR2 | P25090 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 2/20 | 0.30 |
| ▸ | ANPEP | P15144 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL16640683 | 1.00 | ALDH1A1 (0.41) | ALDH1A1L3MBTL1MMEACECPA1 | |
| SCHEMBL14374026 | 1.00 | ALDH1A1 (0.41) | ALDH1A1L3MBTL1MMEACECPA1 | |
| SCHEMBL12648972 | 0.82 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL12301607 | 0.82 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL250457 | 0.82 | ALDH1A1 (0.59) | ALDH1A1L3MBTL1MMEACECPA1 | |
| SCHEMBL24421000 | 0.82 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL30552195 | 0.82 | ALDH1A1 (0.59) | ALDH1A1L3MBTL1MMEACECPA1 | |
| SCHEMBL250458 | 0.82 | ALDH1A1 (0.59) | ALDH1A1L3MBTL1MMEACECPA1 | |
| SCHEMBL14942951 | 0.80 | ALDH1A1 (0.42) | ALDH1A1L3MBTL1MMEACECPA1 | |
| SCHEMBL24932734 | 0.80 | ALDH1A1 (0.42) | ALDH1A1L3MBTL1MMEACECPA1 |
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 | ALDH1A1 4496/4885L3MBTL1 3726/4885MME 2152/4885 |
| US-20090137817-A1 | SPATIALLY-DEFINED MACROCYCLIC COMPOUNDS USEFUL FOR DRUG DISCOVERY | MLNR, GIPR, CCKAR | ALDH1A1 4496/4885L3MBTL1 3726/4885MME 2152/4885 |
“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.