Known targets — ChEMBL curated mechanism
KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2
The experimentally established mechanism targets of Guanidine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.77 |
| ▸ | TSHR | P16473 | 4/20 | 0.77 |
| ▸ | TDP1 | Q9NUW8 | 7/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.59 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.44 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.44 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | GFER | P55789 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | PDE2A | O00408 | 1/20 | 0.42 |
| ▸ | PDE5A | O76074 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4437873 | 0.88 | CYP3A4 (1.00) | CYP3A4TSHRTDP1ALDH1A1GAA | |
| SCHEMBL2313 | 0.88 | CYP3A4 (1.00) | CYP3A4TSHRTDP1ALDH1A1GAA | |
| Nitric Acid SCHEMBL3635730 | 0.86 | CYP3A4 (0.61) | CYP3A4TSHRTDP1ALDH1A1HTT | |
| Hydrochloric Acid SCHEMBL27699078 | 0.86 | CYP3A4 (0.96) | CYP3A4TSHRTDP1ALDH1A1GAA | |
| Water SCHEMBL7777064 | 0.86 | CYP3A4 (0.96) | CYP3A4TSHRTDP1ALDH1A1GAA | |
| Aniline SCHEMBL22169148 | 0.79 | CYP3A4 (0.80) | CYP3A4TSHRTDP1ALDH1A1GAA | |
| Nitric Acid SCHEMBL1717 | 0.77 | HTT (0.57) | CYP3A4ALDH1A1HTTMAPTLMNA | |
| Nitric Acid SCHEMBL30496141 | 0.77 | HTT (0.57) | CYP3A4ALDH1A1HTTMAPTLMNA | |
| SCHEMBL13138664 | 0.76 | TSHR (0.76) | CYP3A4TSHRTDP1ALDH1A1GAA | |
| Guanidine SCHEMBL1644457 | 0.76 | GAA (0.47) | CYP3A4TSHRTDP1ALDH1A1GAA |
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-8466154-B2 | Methods and compositions related to wrapping of dehydrons | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2013-06-18 | — | — | US | disclosed |
| US-20130131076-A1 | METHODS AND COMPOSITIONS RELATED TO WRAPPING OF DEHYDRONS | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2013-05-23 | — | — | US | disclosed |
| US-20110097268-A1 | RADIOHALOIMATINIBS AND METHODS OF THEIR SYNTHESIS AND USE IN PET IMAGING OF CANCERS | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM | 2011-04-28 | — | — | US | disclosed |
| WO-2008070350-A9 | METHODS AND COMPOSITIONS RELATED TO WRAPPING OF DEHYDRONS | UNIV TEXAS (US) | 2008-10-23 | — | — | WO | disclosed |
| WO-2008070350-A2 | METHODS AND COMPOSITIONS RELATED TO WRAPPING OF DEHYDRONS | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2008-06-12 | — | — | WO | disclosed |
| WO-2008024829-A2 | RADIOHALOIMATINIBS AND METHODS OF THEIR SYNTHESIS AND USE IN PET IMAGING OF CANCERS | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2008-02-28 | — | — | WO | 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-20130131076-A1 | METHODS AND COMPOSITIONS RELATED TO WRAPPING OF DEHYDRONS | DKK1, HPN, OSBP2 | CYP3A4 4096/4885TSHR 4461/4885TDP1 4058/4885 |
| US-20110097268-A1 | RADIOHALOIMATINIBS AND METHODS OF THEIR SYNTHESIS AND USE IN PET IMAGING OF CANCERS | ROS1, HRAS, MYC | CYP3A4 1907/4885TSHR 797/4885TDP1 1045/4885 |
“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.