Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FADS1 | O60427 | 4/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.48 |
| ▸ | GRM4 | Q14833 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.37 |
| ▸ | MTOR | P42345 | 1/20 | 0.37 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL801664 | 0.88 | TRPA1 (0.52) | FADS1TRPA1GRM4ALDH1A1NPC1 | |
| SCHEMBL802027 | 0.88 | FADS1 (0.46) | FADS1TRPA1GRM4ALDH1A1ADRA2A | |
| SCHEMBL801665 | 0.88 | FADS1 (0.51) | FADS1GRM4ALDH1A1NPC1RAB9A | |
| SCHEMBL12619777 | 0.85 | FADS1 (0.46) | FADS1TRPA1GRM4ALDH1A1TP53 | |
| SCHEMBL802064 | 0.82 | GSK3A (0.42) | FADS1TRPA1GRM4ADRA2ACYP1A2 | |
| SCHEMBL802068 | 0.82 | FADS1 (0.41) | FADS1TRPA1GRM4ADRA2ACYP1A2 | |
| SCHEMBL802674 | 0.81 | GSK3A (0.44) | FADS1TRPA1GRM4ALDH1A1NPC1 | |
| SCHEMBL802280 | 0.81 | FADS1 (0.42) | FADS1TRPA1GRM4ALDH1A1NPC1 | |
| SCHEMBL802671 | 0.80 | FADS1 (0.41) | FADS1TRPA1GRM4ALDH1A1NPC1 | |
| SCHEMBL801694 | 0.79 | VCP (0.43) | FADS1TRPA1GRM4ALDH1A1NPC1 |
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-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 |
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-20120071657-A1 | TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | GSK3B, GSK3A, CDK19 | FADS1 3442/4885TRPA1 4786/4885GRM4 3726/4885 |
“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.