Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3A | P49840 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | SMYD2 | Q9NRG4 | 2/20 | 0.37 |
| ▸ | FADS1 | O60427 | 2/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.35 |
| ▸ | VCP | P55072 | 1/20 | 0.35 |
| ▸ | ACP1 | P24666 | 1/20 | 0.34 |
| ▸ | LCK | P06239 | 1/20 | 0.34 |
| ▸ | ITK | Q08881 | 1/20 | 0.34 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL802321 | 0.89 | GSK3A (0.56) | GSK3AGSK3BSMYD2FADS1NPC1 | |
| SCHEMBL802064 | 0.88 | GSK3A (0.42) | GSK3AGSK3BSMYD2FADS1ADRA2A | |
| SCHEMBL802316 | 0.88 | FADS1 (0.41) | GSK3AGSK3BFADS1ADRA2ATRPA1 | |
| SCHEMBL805550 | 0.85 | USP1 (0.43) | GSK3AGSK3BFADS1ADRA2ATRPA1 | |
| SCHEMBL801694 | 0.83 | VCP (0.43) | GSK3AGSK3BFADS1ADRA2ATRPA1 | |
| SCHEMBL802691 | 0.82 | GSK3A (0.46) | GSK3AGSK3BFADS1ADRA2ATRPA1 | |
| SCHEMBL802120 | 0.81 | KDM4E (0.42) | SMYD2ALDH1A1EGFR | |
| SCHEMBL802337 | 0.80 | GRM4 (0.45) | GSK3BFADS1ADRA2ATRPA1NPC1 | |
| SCHEMBL802068 | 0.79 | FADS1 (0.41) | FADS1ADRA2ATRPA1GRM4ACP1 | |
| SCHEMBL13055221 | 0.79 | FADS1 (0.36) | GSK3AGSK3BFADS1ADRA2ATRPA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8633210-B2 | Triazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-01-21 | — | — | US | disclosed |
| US-20120071657-A1 | TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-03-22 | — | — | US | disclosed |
| US-20100256170-A1 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-10-07 | — | — | 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 (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-20100256170-A1 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | GSK3B, CDK3, GSK3A | GSK3A 3/4885GSK3B 1/4885SMYD2 1706/4885 |
| US-20120071657-A1 | TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | GSK3B, GSK3A, CDK19 | GSK3A 2/4885GSK3B 1/4885SMYD2 2060/4885 |
“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.