Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | NLRP3 | Q96P20 | 4/20 | 0.56 |
| ▸ | PKM | P14618 | 4/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | TP53 | P04637 | 3/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | STAT6 | P42226 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | CASP1 | P29466 | 1/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.56 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.56 |
| ▸ | RELA | Q04206 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | THPO | P40225 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL13251201 | 1.00 | ALDH1A1 (0.56) | ALDH1A1NLRP3PKMLMNATP53 | |
| SCHEMBL13433133 | 0.91 | PKM (0.54) | ALDH1A1NLRP3PKMLMNATP53 | |
| SCHEMBL16421406 | 0.90 | ALDH1A1 (0.55) | ALDH1A1NLRP3PKMLMNATP53 | |
| SCHEMBL17761701 | 0.90 | ALDH1A1 (0.55) | ALDH1A1NLRP3PKMLMNATP53 | |
| SCHEMBL15336431 | 0.90 | ALDH1A1 (0.55) | ALDH1A1NLRP3PKMLMNATP53 | |
| Dimethylaminoparthenolide SCHEMBL6741648 | 0.89 | NLRP3 (0.54) | ALDH1A1NLRP3PKMLMNATP53 | |
| Dimethylaminoparthenolide SCHEMBL16414703 | 0.89 | NLRP3 (0.54) | ALDH1A1NLRP3PKMLMNATP53 | |
| Dimethylaminoparthenolide SCHEMBL29496871 | 0.89 | NLRP3 (0.54) | ALDH1A1NLRP3PKMLMNATP53 | |
| Dimethylaminoparthenolide SCHEMBL10099623 | 0.89 | NLRP3 (0.54) | ALDH1A1NLRP3PKMLMNATP53 | |
| Dimethylaminoparthenolide SCHEMBL16414642 | 0.89 | NLRP3 (0.54) | ALDH1A1NLRP3PKMLMNATP53 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9512138-B2 | Compositions and methods for treating cancer | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2016-12-06 | — | — | US | disclosed |
| US-9512138-B2 | Compositions and methods for treating cancer | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2016-12-06 | — | — | US | disclosed |
| US-20160137662-A1 | COMPOSITIONS AND METHODS FOR TREATING CANCER | THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY | 2016-05-19 | — | — | US | disclosed |
| US-20160137662-A1 | COMPOSITIONS AND METHODS FOR TREATING CANCER | THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY | 2016-05-19 | — | — | US | disclosed |
| US-20150031725-A1 | COMPOSITIONS AND METHODS FOR TREATING CANCER | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2015-01-29 | — | — | US | disclosed |
| US-20100009970-A1 | COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES | COMBINATORX (SINGAPORE) PTE. LTD. (SG) | 2010-01-14 | — | — | US | disclosed |
| US-20080161324-A1 | Compositions and methods for treatment of viral diseases | EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) | 2008-07-03 | — | — | US | disclosed |
| US-7312242-B2 | Use of parthenolide derivatives as antileukemic and cytotoxic agents | UNIVERSITY OF KENTUCKY (US) | 2007-12-25 | — | — | 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 (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-20160137662-A1 | COMPOSITIONS AND METHODS FOR TREATING CANCER | HRAS, TP53, VHL | ALDH1A1 2822/4885NLRP3 4049/4885PKM 2957/4885 |
| US-20100009970-A1 | COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES | HTR1A, HTR3B, HTR3A | ALDH1A1 2240/4885NLRP3 1644/4885PKM 1577/4885 |
| US-20150031725-A1 | COMPOSITIONS AND METHODS FOR TREATING CANCER | HRAS, TP53, VHL | ALDH1A1 2822/4885NLRP3 4049/4885PKM 2957/4885 |
| US-20080161324-A1 | Compositions and methods for treatment of viral diseases | HAVCR2, EIF2AK2, RNASE1 | ALDH1A1 785/4885NLRP3 1562/4885PKM 2372/4885 |
“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.