Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | TYMS | P04818 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2112468 | 0.93 | TYMS (0.44) | KDM4ECYP1A2CYP2C19ALOX15TDP1 | |
| SCHEMBL13113555 | 0.80 | AHR (0.56) | CYP1A2ALDH1A1AHRTP53HTT | |
| SCHEMBL12884761 | 0.80 | TDP1 (0.46) | KDM4ECYP1A2CYP2C19ALOX15TDP1 | |
| SCHEMBL3423393 | 0.80 | AHR (0.43) | CYP1A2ATMALDH1A1AHRTP53 | |
| SCHEMBL10506604 | 0.77 | — | — | |
| SCHEMBL30567320 | 0.77 | TDP1 (0.68) | KDM4ECYP1A2ALOX15TDP1TYMS | |
| SCHEMBL3424465 | 0.77 | AHR (0.44) | CYP1A2ATMALDH1A1CYP2C9AHR | |
| SCHEMBL2113335 | 0.75 | ALOX15 (0.57) | KDM4ECYP1A2ALOX15TDP1TYMS | |
| Ethane SCHEMBL27766222 | 0.75 | AHR (0.43) | CYP1A2ATMALDH1A1CYP2C9AHR | |
| SCHEMBL30055520 | 0.75 | ALOX15 (0.57) | KDM4ECYP1A2ALOX15TDP1TYMS |
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-8158623-B2 | Heptacyclic compounds and the pharmaceutical uses thereof for preventing and treating diabetes and metabolic syndrome | SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCES (CN) | 2012-04-17 | — | — | US | disclosed |
| US-20100173905-A1 | HEPTACYCLIC COMPOUNDS AND THE PHARMACEUTICAL USES THEREOF FOR PREVENTING AND TREATING DIABETES AND METABOLIC SYNDROME | SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCE | 2010-07-08 | — | — | US | disclosed |
| EP-2199295-A1 | COMPOUNDS WITH 7-MEMBER CYCLE AND THE PHARMACEUTICAL USE THEREOF FOR PREVENTING AND TREATING DIABETES AND METABOLISM SYNDROME | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2010-06-23 | — | — | EP | 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-20100173905-A1 | HEPTACYCLIC COMPOUNDS AND THE PHARMACEUTICAL USES THEREOF FOR PREVENTING AND TREATING DIABETES AND METABOLIC SYNDROME | GPR119, CYP11B1, HSD11B1 | KDM4E 4346/4885CYP1A2 253/4885CYP2C19 391/4885 |
“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.