Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.56 |
| ▸ | KDR | P35968 | 5/20 | 0.54 |
| ▸ | RET | P07949 | 4/20 | 0.54 |
| ▸ | ITK | Q08881 | 7/20 | 0.54 |
| ▸ | PRKDC | P78527 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | ATR | Q13535 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | SRC | P12931 | 2/20 | 0.48 |
| ▸ | ABL1 | P00519 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.47 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.45 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5179280 | 0.88 | ITK (0.61) | GSK3BKDRRETITKNPC1 | |
| SCHEMBL2876288 | 0.82 | ITK (0.60) | GSK3BKDRRETITKPRKDC | |
| SCHEMBL4255143 | 0.81 | CLK2 (0.47) | GSK3BKDRRETPRKDCATM | |
| SCHEMBL8548852 | 0.80 | NPC1 (0.62) | GSK3BKDRITKNPC1RAB9A | |
| SCHEMBL1900577 | 0.80 | ITK (0.54) | GSK3BKDRRETITKNPC1 | |
| SCHEMBL4066405 | 0.80 | CYP1A1 (0.55) | KDRRETITK | |
| SCHEMBL2927510 | 0.80 | PRKDC (0.56) | GSK3BKDRRETITKPRKDC | |
| SCHEMBL8638212 | 0.79 | ITK (0.60) | GSK3BKDRITKNPC1RAB9A | |
| SCHEMBL30622581 | 0.77 | SYK (0.59) | GSK3BKDRRETITK | |
| SCHEMBL25416927 | 0.77 | ITK (0.61) | GSK3BKDRITKNPC1RAB9A |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2322521-B1 | Heteroaryl compounds useful as inhibitors of GSK-3 | VERTEX PHARMA (US) | 2013-09-04 | — | — | EP | disclosed |
| EP-2322521-B1 | Heteroaryl compounds useful as inhibitors of GSK-3 | VERTEX PHARMA (US) | 2013-09-04 | — | — | EP | disclosed |
| EP-2322521-A1 | Heteroaryl compounds useful as inhibitors of GSK-3 | Vertex Pharmaceuticals, Inc. (US) | 2011-05-18 | — | — | EP | disclosed |
| EP-2322521-A1 | Heteroaryl compounds useful as inhibitors of GSK-3 | Vertex Pharmaceuticals, Inc. (US) | 2011-05-18 | — | — | EP | disclosed |
| US-20070270420-A1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF GSK-3 | VERTEX PHARMACEUTICALS INCORPORATED | 2007-11-22 | — | — | US | disclosed |
| US-20070270420-A1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF GSK-3 | VERTEX PHARMACEUTICALS INCORPORATED | 2007-11-22 | — | — | US | disclosed |
| US-20070270420-A1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF GSK-3 | VERTEX PHARMACEUTICALS INCORPORATED | 2007-11-22 | — | — | US | disclosed |
| EP-1472245-A2 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF GSK-3 | Vertex Pharmaceuticals Incorporated (US) | 2004-11-03 | — | — | EP | disclosed |
| US-20040034037-A1 | Heteroaryl compounds useful as inhibitors of GSK-3 | VERTEX PHARMACEUTICALS, INCORPORATED | 2004-02-19 | — | — | US | disclosed |
| WO-2003066629-A2 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF GSK-3 | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2003-08-14 | — | — | 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 (2 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-20070270420-A1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF GSK-3 | GSK3B, GSK3A, GSKIP | GSK3B 1/4885KDR 3692/4885RET 2940/4885 |
| US-20040034037-A1 | Heteroaryl compounds useful as inhibitors of GSK-3 | GSK3B, GSK3A, GSKIP | GSK3B 1/4885KDR 3692/4885RET 2940/4885 |
“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.