Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | FOXO1 | Q12778 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3557894 | 1.00 | ALDH1A1 (0.44) | ALDH1A1HPGDUSP2ALOX12BCHE | |
| SCHEMBL3121405 | 0.91 | BCHE (0.39) | ALDH1A1HPGDUSP2BCHEHDAC1 | |
| SCHEMBL3121408 | 0.91 | BCHE (0.39) | ALDH1A1HPGDUSP2BCHEHDAC1 | |
| SCHEMBL3127565 | 0.88 | CYP3A4 (0.45) | ALDH1A1HPGDCDK2ADORA3 | |
| SCHEMBL3127556 | 0.88 | CYP3A4 (0.45) | ALDH1A1HPGDCDK2ADORA3 | |
| SCHEMBL3134241 | 0.86 | CCNE1 (0.44) | ALDH1A1HPGDCDK2ADORA3 | |
| SCHEMBL3134247 | 0.86 | CCNE1 (0.44) | ALDH1A1HPGDCDK2ADORA3 | |
| SCHEMBL3133082 | 0.86 | ADORA3 (0.45) | ALDH1A1HPGDBCHEADORA1ADORA2A | |
| SCHEMBL3131664 | 0.86 | ADORA3 (0.45) | ALDH1A1HPGDBCHEADORA1ADORA2A | |
| SCHEMBL3131648 | 0.86 | ADORA3 (0.45) | ALDH1A1HPGDBCHEADORA1ADORA2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7671072-B2 | Aminopyrazole derivatives as GSK-3 inhibitors | PFIZER INC. (US) | 2010-03-02 | — | — | US | claimed |
| US-20070276010-A1 | Aminopyrazole Derivatives as Gsk-3 Inhibitors | BENBOW JOHN W | 2007-11-29 | — | — | US | claimed |
| JP-2007512315-A | — | — | 2007-05-17 | — | — | JP | claimed |
| EP-1689721-A1 | AMINOPYRAZOLE DERIVATIVES AS GSK-3 INHIBITORS | Pfizer Products Inc. (US) | 2006-08-16 | — | — | EP | claimed |
| WO-2005051919-A1 | AMINOPYRAZOLE DERIVATIVES AS GSK-3 INHIBITORS | PFIZER PRODUCTS INC. (US) | 2005-06-09 | — | — | WO | claimed |
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-20070276010-A1 | Aminopyrazole Derivatives as Gsk-3 Inhibitors | GSK3B, GSK3A, GSKIP | ALDH1A1 1036/4885HPGD 2875/4885USP2 4502/4885 |
“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.