Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.39 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TYR | P14679 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14047007 | 1.00 | AKR1B1 (0.42) | AKR1B1EGFRALDH1A1NLRP3HSPA5 | |
| SCHEMBL12301716 | 0.81 | HPGD (0.47) | ALDH1A1POLBTSHRMTNR1AMTNR1B | |
| SCHEMBL749525 | 0.81 | HPGD (0.47) | ALDH1A1POLBTSHRMTNR1AMTNR1B | |
| SCHEMBL14047008 | 0.81 | HPGD (0.47) | ALDH1A1POLBTSHRMTNR1AMTNR1B | |
| SCHEMBL10886546 | 0.78 | ALDH1A1 (0.56) | EGFRALDH1A1MAPK1 | |
| SCHEMBL15247513 | 0.78 | ALDH1A1 (0.56) | EGFRALDH1A1MAPK1 | |
| SCHEMBL16137501 | 0.78 | ALDH1A1 (0.56) | EGFRALDH1A1MAPK1 | |
| SCHEMBL7215576 | 0.78 | SLC6A2 (0.42) | ALDH1A1TSHRTYRADRB2ADRB1 | |
| SCHEMBL2385885 | 0.75 | ALDH1A1 (0.57) | AKR1B1ALDH1A1HSPA5TSHRTYR | |
| SCHEMBL9863542 | 0.75 | AKR1B1 (0.55) | AKR1B1ALDH1A1HSPA5POLBMAPK1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2316846-B1 | Spatially-defined macrocyclic compounds useful for drug discovery | OCERA THERAPEUTICS INC (US) | 2019-10-02 | — | — | EP | disclosed |
| US-8440851-B2 | Spatially-defined macrocyclic compounds useful for drug discovery | TRANZYME PHARMA, INC. (CA) | 2013-05-14 | — | — | US | disclosed |
| EP-1648922-B9 | SPATIALLY-DEFINED MACROCYCLIC COMPOUNDS USEFUL FOR DRUG DISCOVERY | TRANZYME PHARMA INC (CA) | 2013-04-03 | — | — | EP | disclosed |
| EP-2431380-A2 | Macrocyclic antagonist of the motilin receptor for treatment of gastrointestinal dysmotility disorders | Tranzyme Pharma, Inc. (US) | 2012-03-21 | — | — | EP | 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 |
| EP-2319859-A2 | Spatially-defined macrocyclic compounds useful for drug discovery | Tranzyme Pharma Inc. (CA) | 2011-05-11 | — | — | EP | disclosed |
| EP-2316846-A2 | Spatially-defined macrocyclic compounds useful for drug discovery | Tranzyme Pharma Inc. (CA) | 2011-05-04 | — | — | EP | 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 (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 | AKR1B1 3471/4885EGFR 331/4885ALDH1A1 4496/4885 |
| US-20090137817-A1 | SPATIALLY-DEFINED MACROCYCLIC COMPOUNDS USEFUL FOR DRUG DISCOVERY | MLNR, GIPR, CCKAR | AKR1B1 3471/4885EGFR 331/4885ALDH1A1 4496/4885 |
“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.