Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 3/20 | 0.43 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.41 |
| ▸ | PRKCI | P41743 | 1/20 | 0.41 |
| ▸ | KDM4C | Q9H3R0 | 3/20 | 0.41 |
| ▸ | KDM6B | O15054 | 2/20 | 0.41 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| SCHEMBL18599002 | 0.90 | KDM6B (0.43) | KDRPTGDR2KDM4CKDM6BSIRT3 | |
| SCHEMBL3818724 | 0.87 | TDP1 (0.44) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2C9 | |
| SCHEMBL258369 | 0.86 | KDM4C (0.51) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2C9 | |
| Hydrochloric Acid SCHEMBL5739434 | 0.84 | KDM4C (0.50) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2C9 | |
| SCHEMBL16610646 | 0.83 | CYP2E1 (0.39) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2C9 | |
| SCHEMBL9517606 | 0.82 | CYP2E1 (0.43) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2C9 | |
| SCHEMBL14497511 | 0.81 | TDP1 (0.43) | KDM4CKDM6BSIRT3TDP1ALDH1A1 | |
| SCHEMBL6627674 | 0.81 | PTGDR2 (0.42) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2C9 | |
| SCHEMBL6627688 | 0.77 | CYP2A6 (0.45) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2C9 | |
| SCHEMBL4005290 | 0.76 | GABRP (0.55) | PTGDR2KDM4CKDM6BTDP1CYP1A2 |
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 11 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 |
| 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 |
| US-20040267017-A1 | 3-pyridyl or 4-isoquinolinyl thiazoles as c17, 20 lyase inhibitors | BAYER PHARMACEUTICALS CORPORATION | 2004-12-30 | — | — | US | disclosed |
| EP-1480977-A2 | SUBSTITUTED ARYL COMPOUNDS FOR TREATMENT OF DISEASE | PHARMACIA & UPJOHN COMPANY (US) | 2004-12-01 | — | — | EP | disclosed |
| EP-1432706-A2 | 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS | Bayer Pharmaceuticals Corporation (US) | 2004-06-30 | — | — | EP | disclosed |
| WO-2003070728-A2 | AZABICYCLO-SUBSTITUTED BENZOYLAMIDES AND THIOAMIDES FOR TREATMENT OF CNS-RELATED DISORDERS | PHARMACIA & UPJOHN COMPANY (US) | 2003-08-28 | — | — | WO | disclosed |
| WO-2003027085-A2 | 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS | BAYER PHARMACEUTICALS CORPORATION (US) | 2003-04-03 | — | — | WO | disclosed |
| WO-2003027101-A1 | SUBSTITUTED 3-PYRIDYL PYRROLES AND 3-PYRIDYL PYRAZOLES AS C17,20 LYASE INHIBITORS | BAYER PHARMACEUTICALS CORPORATION (US) | 2003-04-03 | — | — | WO | disclosed |
| WO-2003027100-A1 | SUBSTITUTED 3-PYRIDYL PYRIMIDINES AS C17,20 LYASE INHIBITORS | BAYER PHARMACEUTICALS CORPORATION (US) | 2003-04-03 | — | — | 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 | CYP2E1 2795/4885CYP2C8 2808/4885CYP2D6 1161/4885 |
| US-20040267017-A1 | 3-pyridyl or 4-isoquinolinyl thiazoles as c17, 20 lyase inhibitors | CYP17A1, CYP21A2, HSD17B1 | CYP2E1 209/4885CYP2C8 146/4885CYP2D6 102/4885 |
“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.