Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.38 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 6/20 | 0.37 |
| ▸ | PIK3CB | P42338 | 5/20 | 0.37 |
| ▸ | PIK3CG | P48736 | 5/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.37 |
| ▸ | MGAM | O43451 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | SI | P14410 | 3/20 | 0.36 |
| ▸ | MGAM2 | Q2M2H8 | 3/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10070729 | 0.85 | ATAD2 (0.49) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| SCHEMBL10070727 | 0.84 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| SCHEMBL10042017 | 0.81 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| SCHEMBL504077 | 0.75 | ATAD2 (0.49) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| SCHEMBL504084 | 0.68 | PIK3CD (0.70) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| SCHEMBL2472341 | 0.68 | ATAD2 (0.52) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| SCHEMBL31616006 | 0.65 | CDK2 (0.48) | MAP2K2MAP2K1PIK3CAGAA | |
| SCHEMBL3588586 | 0.64 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| SCHEMBL302929 | 0.64 | ATAD2 (0.70) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| SCHEMBL3574427 | 0.63 | ATAD2 (0.48) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E |
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-20130267498-A1 | COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED | 2013-10-10 | — | — | US | disclosed |
| US-8399458-B2 | Compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-03-19 | — | — | US | disclosed |
| US-20120028965-A1 | COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-02 | — | — | 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-20120028965-A1 | COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | MAP3K20, MAP3K6, MAP3K1 | ALDH1A1 4106/4885SMN1; SMN2 1938/4885NPC1 1136/4885 |
| US-20130267498-A1 | COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | MAP3K20, MAP3K6, MAP3K1 | ALDH1A1 4106/4885SMN1; SMN2 1938/4885NPC1 1136/4885 |
“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.