Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.58 |
| ▸ | RAB9A | P51151 | 8/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.58 |
| ▸ | TP53 | P04637 | 3/20 | 0.58 |
| ▸ | PKM | P14618 | 2/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.58 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.58 |
| ▸ | METAP2 | P50579 | 3/20 | 0.54 |
| ▸ | HPGD | P15428 | 3/20 | 0.54 |
| ▸ | METAP1 | P53582 | 2/20 | 0.54 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | MTOR | P42345 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.51 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.51 |
| ▸ | FGFR1 | P11362 | 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 | |
|---|---|---|---|---|
| SCHEMBL1900530 | 0.80 | CDK1 (0.65) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL9986177 | 0.79 | NPC1 (0.68) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL6530312 | 0.77 | CDK1 (0.69) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL1898330 | 0.76 | NPC1 (0.53) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL14364665 | 0.75 | SMN1; SMN2 (0.59) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL147654 | 0.75 | KDM4E (0.60) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL28036109 | 0.75 | CDK1 (0.68) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL11471783 | 0.75 | NPC1 (0.61) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL14364615 | 0.75 | CDK1 (0.63) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL30860691 | 0.75 | KDM4E (0.60) | NPC1RAB9AKDM4EALDH1A1SMN1; 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 9 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-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 | NPC1 1276/4885RAB9A 3058/4885KDM4E 1132/4885 |
| US-20040034037-A1 | Heteroaryl compounds useful as inhibitors of GSK-3 | GSK3B, GSK3A, GSKIP | NPC1 1276/4885RAB9A 3058/4885KDM4E 1132/4885 |
“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.