Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.30 |
| ▸ | CHRNG | P07510 | 1/20 | 0.30 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.30 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.30 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.30 |
| ▸ | CHRND | Q07001 | 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 | |
|---|---|---|---|---|
| SCHEMBL22872326 | 1.00 | CA12 (0.34) | CA12CA14SLC6A3POLBTRPA1 | |
| SCHEMBL12597799 | 1.00 | CA12 (0.34) | CA12CA14SLC6A3POLBTRPA1 | |
| SCHEMBL20626107 | 0.84 | SLC6A3 (0.32) | SLC6A3POLB | |
| SCHEMBL23065771 | 0.84 | SLC6A3 (0.32) | SLC6A3POLB | |
| SCHEMBL18811839 | 0.80 | PSENEN (0.36) | SLC6A3CHRNA1CHRNGCHRNB1CHRNB2 | |
| SCHEMBL23682495 | 0.80 | PSENEN (0.36) | SLC6A3CHRNA1CHRNGCHRNB1CHRNB2 | |
| SCHEMBL20850026 | 0.79 | ALDH1A1 (0.39) | POLBSMN1; SMN2 | |
| SCHEMBL22872310 | 0.79 | ALDH1A1 (0.39) | POLBSMN1; SMN2 | |
| SCHEMBL24403607 | 0.79 | SLC6A3 (0.33) | CA12CA14SLC6A3SMN1; SMN2CHRNA1 | |
| SCHEMBL10061084 | 0.79 | ALDH1A1 (0.39) | POLBSMN1; SMN2 |
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-20190092808-A1 | SYNTHESIS AND COMPOSITION OF RAPAFUCIN LIBRARIES | THE JOHNS HOPKINS UNIVERSITY | 2019-03-28 | — | — | US | disclosed |
| US-8440851-B2 | Spatially-defined macrocyclic compounds useful for drug discovery | TRANZYME PHARMA, INC. (CA) | 2013-05-14 | — | — | US | disclosed |
| 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 |
| US-7452862-B2 | Conformationally-controlled biologically active macrocyclic small molecules as motilin antagonists or ghrelin agonists | TRANZYME PHARMA, INC. (CA) | 2008-11-18 | — | — | 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 (3 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 | CA12 3195/4885CA14 3394/4885SLC6A3 1372/4885 |
| US-20190092808-A1 | SYNTHESIS AND COMPOSITION OF RAPAFUCIN LIBRARIES | MTOR, COASY, RICTOR | CA12 4733/4885CA14 4486/4885SLC6A3 4659/4885 |
| US-20090137817-A1 | SPATIALLY-DEFINED MACROCYCLIC COMPOUNDS USEFUL FOR DRUG DISCOVERY | MLNR, GIPR, CCKAR | CA12 3195/4885CA14 3394/4885SLC6A3 1372/4885 |
“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.