Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | GBA1 | P04062 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | GSK3A | P49840 | 2/20 | 0.41 |
| ▸ | GSK3B | P49841 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MPO | P05164 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | MAPK10 | P53779 | 6/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | PLK1 | P53350 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3493071 | 0.85 | NPC1 (0.51) | ROCK1NPC1RAB9ACYP1A2CYP2C19 | |
| SCHEMBL3494016 | 0.83 | ROCK1 (0.50) | ROCK1NPC1RAB9ACYP1A2CYP2C19 | |
| SCHEMBL3494189 | 0.77 | NPC1 (0.39) | ROCK1NPC1RAB9ACYP1A2CYP2C19 | |
| SCHEMBL11341880 | 0.75 | KDM4E (0.52) | CYP1A2CYP2C19MAPTKDM4EMPO | |
| SCHEMBL3492747 | 0.73 | ROCK1 (0.55) | ROCK1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL3491837 | 0.73 | JAK2 (0.50) | NPC1RAB9ACYP1A2CYP2C19SMN1; SMN2 | |
| SCHEMBL2830827 | 0.73 | PLK1 (0.68) | NPC1RAB9ACYP1A2CYP2C19SMN1; SMN2 | |
| SCHEMBL2998251 | 0.73 | KDM4E (0.49) | CYP1A2CYP2C19MAPTGSK3BKDM4E | |
| SCHEMBL11155559 | 0.73 | KDM4E (0.49) | ROCK1NPC1RAB9ACYP1A2CYP2C19 | |
| SCHEMBL3493612 | 0.71 | KDM4E (0.50) | NPC1RAB9ACYP1A2CYP2C19SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8492378-B2 | GSK-3β inhibitor | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-07-23 | — | — | US | disclosed |
| US-20100069381-A1 | GSK-3BETAINHIBITOR | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-03-18 | — | — | 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 (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-20100069381-A1 | GSK-3BETAINHIBITOR | GSK3B, GSK3A, GSKIP | ROCK1 351/4885NPC1 1571/4885RAB9A 3231/4885 |
“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.