Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | NQO1 | P15559 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NQO2 | P16083 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | PI4KA | P42356 | 1/20 | 0.33 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.33 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.33 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL20969639 | 0.87 | CYP1B1 (0.35) | ALDH1A1HSD17B10CYP1B1HIF1ANQO1 | |
| SCHEMBL19774606 | 0.85 | NQO1 (0.31) | ALDH1A1HSD17B10CYP1B1HIF1ANQO1 | |
| SCHEMBL738593 | 0.82 | ALDH1A1 (0.44) | ALDH1A1HSD17B10CYP1B1HIF1ACYP1A1 | |
| SCHEMBL9929156 | 0.81 | CYP19A1 (0.42) | ALDH1A1HSD17B10CYP1B1HIF1ACYP1A1 | |
| Benzene SCHEMBL28903867 | 0.80 | ALDH1A1 (0.45) | ALDH1A1HSD17B10CYP1B1HIF1ACYP19A1 | |
| SCHEMBL3723965 | 0.80 | NQO1 (0.32) | CYP1B1NQO1CYP1A1 | |
| SCHEMBL1478052 | 0.77 | CYP19A1 (0.46) | ALDH1A1HSD17B10CYP19A1CYP2A6TDP1 | |
| SCHEMBL29870054 | 0.77 | CYP19A1 (0.46) | ALDH1A1HSD17B10CYP19A1CYP2A6TDP1 | |
| SCHEMBL7944103 | 0.77 | ALDH1A1 (0.40) | ALDH1A1HSD17B10CYP1B1HIF1ANQO1 | |
| SCHEMBL27860879 | 0.75 | ALDH1A1 (0.39) | ALDH1A1HSD17B10CYP1B1HIF1ANQO1 |
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-20140194605-A1 | SERS Reporter Molecules and Methods | CABOT SECURITY MATERIALS, INC. (US) | 2014-07-10 | — | — | US | claimed |
| US-20120156491-A1 | SERS Reporter Molecules and Methods | CABOT SECURITY MATERIALS INC. (US) | 2012-06-21 | — | — | US | claimed |
| US-20140194605-A1 | SERS Reporter Molecules and Methods | CABOT SECURITY MATERIALS, INC. (US) | 2014-07-10 | — | — | US | disclosed |
| US-20120156491-A1 | SERS Reporter Molecules and Methods | CABOT SECURITY MATERIALS INC. (US) | 2012-06-21 | — | — | US | disclosed |
| US-7842758-B2 | Conjugated materials featuring proquinoidal units | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2010-11-30 | — | — | US | disclosed |
| US-20090221762-A1 | NOVEL CONJUGATED MATERIALS FEATURING PROQUINOIDAL UNITS | THE TRUSSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2009-09-03 | — | — | US | disclosed |
| WO-2007081991-A9 | NOVEL CONJUGATED MATERIALS FEATURING PROQUINOIDAL UNITS | UNIV PENNSYLVANIA (US) | 2007-09-07 | — | — | WO | disclosed |
| WO-2007081991-A2 | NOVEL CONJUGATED MATERIALS FEATURING PROQUINOIDAL UNITS | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2007-07-19 | — | — | 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 (3 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-20090221762-A1 | NOVEL CONJUGATED MATERIALS FEATURING PROQUINOIDAL UNITS | PML, ILK, PARG | ALDH1A1 2833/4885HSD17B10 3468/4885CYP1B1 3627/4885 |
| US-20140194605-A1 | SERS Reporter Molecules and Methods | SRRT, MYCBP, SPR | ALDH1A1 194/4885HSD17B10 1889/4885CYP1B1 2204/4885 |
| US-20120156491-A1 | SERS Reporter Molecules and Methods | SRRT, MYCBP, SPR | ALDH1A1 194/4885HSD17B10 1889/4885CYP1B1 2204/4885 |
“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.