Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 4/20 | 0.47 |
| ▸ | CYP2C8 | P10632 | 4/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.47 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | AOC1 | P19801 | 6/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 6/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | AXL | P30530 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7253760 | 0.88 | L3MBTL1 (0.42) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6 | |
| SCHEMBL746866 | 0.86 | TDP1 (0.49) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6 | |
| SCHEMBL1371438 | 0.85 | TDP1 (0.47) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6 | |
| SCHEMBL793614 | 0.83 | — | — | |
| SCHEMBL31651759 | 0.83 | — | — | |
| SCHEMBL10954433 | 0.80 | CYP2E1 (0.51) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6 | |
| SCHEMBL16212886 | 0.79 | PARP1 (0.37) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6 | |
| SCHEMBL30107212 | 0.79 | PARP1 (0.37) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6 | |
| SCHEMBL20519350 | 0.79 | PARP1 (0.35) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6 | |
| SCHEMBL7349582 | 0.78 | PARP1 (0.36) | AOC1AOC3PARP1LOXL2AXL |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210276987-A1 | PHARMACEUTICAL AGENTS FOR USE IN SMOKING AND TOBACCO CESSATION | WASHINGTON STATE UNIVERSITY (US) | 2021-09-09 | — | — | US | disclosed |
| WO-2021003398-A1 | INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LMPTP) AND USES THEREOF | Sanford Burnham Prebys Medical Discovery Institute (US) | 2021-01-07 | — | — | WO | disclosed |
| CN-102438991-B | Carbinol compounds having a heterocyclic linker | KOWA CO.,LTD. (JP) | 2015-08-26 | — | — | CN | disclosed |
| US-20130045935-A1 | FLAVONOID DIMERS AND THEIR USE | THE HONG KONG POLYTECHNIC UNIVERSITY (CN) | 2013-02-21 | — | — | US | disclosed |
| US-8273769-B2 | Phenoxy acetic acid derivatives | MERCK SERONO SA (CH) | 2012-09-25 | — | — | US | disclosed |
| US-8273769-B2 | Phenoxy acetic acid derivatives | MERCK SERONO SA (CH) | 2012-09-25 | — | — | US | disclosed |
| US-8273769-B2 | Phenoxy acetic acid derivatives | MERCK SERONO SA (CH) | 2012-09-25 | — | — | US | disclosed |
| EP-2396295-A1 | PHENOXY ACETIC ACID DERIVATIVES | Merck Serono S.A. (CH) | 2011-12-21 | — | — | EP | disclosed |
| US-20110288066-A1 | PHENOXY ACETIC ACID DERIVATIVES | MERCK SERONO S.A. (CH) | 2011-11-24 | — | — | US | disclosed |
| US-20110288066-A1 | PHENOXY ACETIC ACID DERIVATIVES | MERCK SERONO S.A. (CH) | 2011-11-24 | — | — | US | disclosed |
| US-20110288066-A1 | PHENOXY ACETIC ACID DERIVATIVES | MERCK SERONO S.A. (CH) | 2011-11-24 | — | — | US | disclosed |
| WO-2010092043-A1 | PHENOXY ACETIC ACID DERIVATIVES | MERCK SERONO S.A. (CH) | 2010-08-19 | — | — | WO | disclosed |
| WO-2010092043-A1 | PHENOXY ACETIC ACID DERIVATIVES | MERCK SERONO S.A. (CH) | 2010-08-19 | — | — | WO | disclosed |
| WO-2006014762-A1 | SUBSTITUTED AMIDE BETA SECRETASE INHIBITORS | SCHERING CORPORATION (US) | 2006-02-09 | — | — | WO | disclosed |
| US-20050059726-A1 | Pyrrolidine-2-ones as factor xa inhibitors | GLAXO GROUP LIMITED (GB) | 2005-03-17 | — | — | US | disclosed |
| EP-1456172-A1 | PYRROLIDINE-2-ONES AS FACTOR XA INHIBITORS | GLAXO GROUP LIMITED (GB) | 2004-09-15 | — | — | EP | disclosed |
| WO-2003053925-A1 | PYRROLIDINE-2-ONES AS FACTOR XA INHIBITORS | GLAXO GROUP LIMITED (GB) | 2003-07-03 | — | — | 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-2003027105-A1 | SUBSTITUTED 3-PYRIDYL THIOPHENES 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 (4 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-20130045935-A1 | FLAVONOID DIMERS AND THEIR USE | DHFR, CCNY, ETFB | CYP2E1 473/4885CYP2C8 272/4885CYP2D6 26/4885 |
| US-20110288066-A1 | PHENOXY ACETIC ACID DERIVATIVES | HRH2, HRH1, HRH3 | CYP2E1 674/4885CYP2C8 2850/4885CYP2D6 1672/4885 |
| US-20050059726-A1 | Pyrrolidine-2-ones as factor xa inhibitors | TFPI, F2, SERPINC1 | CYP2E1 2775/4885CYP2C8 1313/4885CYP2D6 1433/4885 |
| US-20210276987-A1 | PHARMACEUTICAL AGENTS FOR USE IN SMOKING AND TOBACCO CESSATION | CYP2A6, CYP2B6, CYP2D6 | CYP2E1 19/4885CYP2C8 67/4885CYP2D6 3/4885 |
“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.