Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3A | P49840 | 3/20 | 1.00 |
| ▸ | GSK3B | P49841 | 3/20 | 1.00 |
| ▸ | ABCG2 | Q9UNQ0 | 10/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | PDE5A | O76074 | 5/20 | 0.56 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.52 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.52 |
| ▸ | AURKA | O14965 | 1/20 | 0.52 |
| ▸ | SRC | P12931 | 1/20 | 0.52 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.52 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.52 |
| ▸ | ACP1 | P24666 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL1083769 | 0.81 | GSK3A (0.68) | GSK3AGSK3BABCG2MAPTLMNA | |
| SCHEMBL166294 | 0.76 | GSK3A (0.60) | GSK3AGSK3BABCG2MEN1KMT2A | |
| SCHEMBL166293 | 0.76 | GSK3A (0.60) | GSK3AGSK3BABCG2MEN1KMT2A | |
| SCHEMBL165180 | 0.76 | GSK3A (0.60) | GSK3AGSK3BABCG2MEN1KMT2A | |
| SCHEMBL255871 | 0.76 | GSK3A (0.60) | GSK3AGSK3BABCG2MEN1KMT2A | |
| SCHEMBL5252846 | 0.76 | GSK3A (0.61) | GSK3AGSK3BABCG2MAPTLMNA | |
| SCHEMBL1063103 | 0.74 | ABCG2 (1.00) | ABCG2MAPTLMNATP53MEN1 | |
| SCHEMBL4891835 | 0.73 | ABCG2 (0.69) | ABCG2MAPTLMNATP53MEN1 | |
| SCHEMBL8095812 | 0.73 | ABCG2 (1.00) | ABCG2MAPTLMNATP53MEN1 | |
| SCHEMBL1063009 | 0.73 | ABCG2 (0.69) | GSK3AGSK3BABCG2MAPTLMNA |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8124392-B2 | Crystal structure of Aurora-2 protein and binding pockets thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-28 | — | — | US | claimed |
| EP-1549318-B1 | CRYSTAL STRUCTURE OF AURORA-2 PROTEIN AND BINDING POCKETS THEREOF | VERTEX PHARMA (US) | 2010-02-17 | — | — | EP | claimed |
| US-7361492-B2 | for computer aided drug design and drug screening for inhibitors of this cancer-related serine/threonine kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-04-22 | — | — | US | claimed |
| EP-1549318-A4 | CRYSTAL STRUCTURE OF AURORA-2 PROTEIN AND BINDING POCKETS THEREOF | VERTEX PHARMA (US) | 2006-03-08 | — | — | EP | claimed |
| EP-1549318-A2 | CRYSTAL STRUCTURE OF AURORA-2 PROTEIN AND BINDING POCKETS THEREOF | Vertex Pharmaceuticals Incorporated (US) | 2005-07-06 | — | — | EP | claimed |
| US-20050143402-A1 | Crystal structure of aurora-2 protein and binding pockets thereof | VERTEX PHARMACEUTICALS INCORPORATED | 2005-06-30 | — | — | US | claimed |
| WO-2003092607-A2 | CRYSTAL STRUCTURE OF AURORA-2 PROTEIN AND BINDING POCKETS THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2003-11-13 | — | — | WO | claimed |
| US-8124392-B2 | Crystal structure of Aurora-2 protein and binding pockets thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-28 | — | — | US | disclosed |
| US-20110104782-A1 | CRYSTAL STRUCTURE OF AURORA-2 PROTEIN AND BINDING POCKETS THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-05-05 | — | — | US | disclosed |
| US-7809541-B2 | Crystal structure of aurora-2 protein and binding pockets thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-10-05 | — | — | US | disclosed |
| EP-1549318-B1 | CRYSTAL STRUCTURE OF AURORA-2 PROTEIN AND BINDING POCKETS THEREOF | VERTEX PHARMA (US) | 2010-02-17 | — | — | EP | disclosed |
| US-20090287422-A1 | Crystal structure of aurora-2 protein and binding pockets thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-11-19 | — | — | US | disclosed |
| US-7361492-B2 | for computer aided drug design and drug screening for inhibitors of this cancer-related serine/threonine kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-04-22 | — | — | US | disclosed |
| EP-1549318-A2 | CRYSTAL STRUCTURE OF AURORA-2 PROTEIN AND BINDING POCKETS THEREOF | Vertex Pharmaceuticals Incorporated (US) | 2005-07-06 | — | — | EP | disclosed |
| US-20050143402-A1 | Crystal structure of aurora-2 protein and binding pockets thereof | VERTEX PHARMACEUTICALS INCORPORATED | 2005-06-30 | — | — | US | disclosed |
| US-6846928-B2 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2005-01-25 | — | — | US | disclosed |
| EP-1485376-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | Vertex Pharmaceuticals Incorporated (US) | 2004-12-15 | — | — | EP | disclosed |
| US-20030225073-A1 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED | 2003-12-04 | — | — | US | disclosed |
| WO-2003092607-A2 | CRYSTAL STRUCTURE OF AURORA-2 PROTEIN AND BINDING POCKETS THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2003-11-13 | — | — | WO | disclosed |
| WO-2003078423-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS, INC. (US) | 2003-09-25 | — | — | 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 (1 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-20030225073-A1 | Compositions useful as inhibitors of protein kinases | MAP3K20, PACSIN2, MAP3K1 | GSK3A 263/4885GSK3B 312/4885ABCG2 2455/4885 |
“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.