Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.69 |
| ▸ | LMNA | P02545 | 4/20 | 0.64 |
| ▸ | NPC1 | O15118 | 4/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.64 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.64 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.64 |
| ▸ | RELA | Q04206 | 2/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | LTA4H | P09960 | 3/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL4887124 | 1.00 | CYP2D6 (0.69) | CYP2D6CYP3A4LMNANPC1SMN1; SMN2 | |
| SCHEMBL1573619 | 1.00 | CYP2D6 (0.69) | CYP2D6CYP3A4LMNANPC1SMN1; SMN2 | |
| SCHEMBL1874710 | 1.00 | CYP2D6 (0.69) | CYP2D6CYP3A4LMNANPC1SMN1; SMN2 | |
| SCHEMBL22145062 | 0.98 | CYP2D6 (0.71) | CYP2D6CYP3A4LMNANPC1SMN1; SMN2 | |
| SCHEMBL7947076 | 0.91 | CYP2D6 (0.81) | CYP2D6CYP3A4LMNANPC1SMN1; SMN2 | |
| SCHEMBL9650447 | 0.89 | CYP2D6 (0.89) | CYP2D6CYP3A4LMNANPC1SMN1; SMN2 | |
| SCHEMBL31621357 | 0.89 | CYP2D6 (0.89) | CYP2D6CYP3A4LMNANPC1SMN1; SMN2 | |
| SCHEMBL31621352 | 0.89 | CYP2D6 (0.89) | CYP2D6CYP3A4LMNANPC1SMN1; SMN2 | |
| SCHEMBL8615461 | 0.86 | CYP2D6 (0.57) | CYP2D6CYP3A4LMNANPC1SMN1; SMN2 | |
| SCHEMBL6364384 | 0.86 | CYP2D6 (0.62) | CYP2D6CYP3A4LMNANPC1SMN1; SMN2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8709280-B2 | Polar nematic compounds | VANDERBILT UNIVERSITY (US) | 2014-04-29 | — | — | US | disclosed |
| US-8696933-B2 | Polar nematic compounds | VANDERBILT UNIVERSITY (US) | 2014-04-15 | — | — | US | disclosed |
| US-20120248373-A1 | POLAR NEMATIC COMPOUNDS | VANDERBILT UNIVERSITY | 2012-10-04 | — | — | US | disclosed |
| US-20120205582-A1 | POLAR NEMATIC COMPOUNDS | VANDERBILT UNIVERSITY | 2012-08-16 | — | — | US | disclosed |
| US-8168084-B2 | Polar nematic compounds | VANDERBILT UNIVERSITY (US) | 2012-05-01 | — | — | US | disclosed |
| US-20110147655-A1 | POLAR NEMATIC COMPOUNDS | NATIONAL SCIENCE FOUNDATION | 2011-06-23 | — | — | US | disclosed |
| US-20100055056-A1 | AGENT FOR IMPROVING PERMEATION OF A DRUG INTO A NAIL AND AN EXTERNAL TREATING AGENT CONTAINING THE SAME | SATO PHARMACEUTICAL CO., LTD. (JP) | 2010-03-04 | — | — | 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-20120205582-A1 | POLAR NEMATIC COMPOUNDS | BCOR, LATS1, LATS2 | CYP2D6 4208/4885CYP3A4 3756/4885LMNA 2172/4885 |
| US-20120248373-A1 | POLAR NEMATIC COMPOUNDS | LATS2, CCNH, CRY1 | CYP2D6 4384/4885CYP3A4 4204/4885LMNA 2035/4885 |
| US-20100055056-A1 | AGENT FOR IMPROVING PERMEATION OF A DRUG INTO A NAIL AND AN EXTERNAL TREATING AGENT CONTAINING THE SAME | ETF1, POLR1C, NACA | CYP2D6 429/4885CYP3A4 1177/4885LMNA 4147/4885 |
| US-20110147655-A1 | POLAR NEMATIC COMPOUNDS | BCOR, LATS1, LATS2 | CYP2D6 4208/4885CYP3A4 3756/4885LMNA 2172/4885 |
“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.