Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 5/20 | 0.49 |
| ▸ | KEAP1 | Q14145 | 3/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | QDPR | P09417 | 1/20 | 0.38 |
| ▸ | CDK4 | P11802 | 2/20 | 0.38 |
| ▸ | CCND1 | P24385 | 2/20 | 0.38 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.37 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | CCNB1 | P14635 | 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 | |
|---|---|---|---|---|
| SCHEMBL746543 | 0.91 | ABCG2 (0.52) | ABCG2KEAP1NFE2L2MAOBMAPT | |
| SCHEMBL20858963 | 0.90 | ABCG2 (0.51) | ABCG2KEAP1NFE2L2MAOBMAPT | |
| SCHEMBL13075649 | 0.89 | ABCG2 (0.50) | ABCG2KEAP1NFE2L2MAOBMAPT | |
| SCHEMBL7025959 | 0.89 | AR (0.46) | MAOBMAPTMEN1ALDH1A1POLB | |
| SCHEMBL7027348 | 0.88 | NPC1 (0.44) | NFE2L2MAOBALDH1A1 | |
| SCHEMBL7026486 | 0.88 | MAPT (0.53) | MAOBMAPTMEN1KMT2AMAOA | |
| SCHEMBL7026784 | 0.86 | ABCB1 (0.49) | ABCG2MAOBMAPTMAOANPSR1 | |
| SCHEMBL7025976 | 0.86 | ABCB1 (0.51) | MAOBMAPTMAOANPSR1 | |
| SCHEMBL7027485 | 0.85 | ABCB1 (0.50) | ABCG2QDPR | |
| SCHEMBL7027366 | 0.84 | PDPK1 (0.47) | ABCG2MAOBMAPTMAOANPSR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120121692-A1 | COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR TREATING CANCER | SHANDONG UNIVERSITY (CN) | 2012-05-17 | — | — | 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-20120121692-A1 | COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR TREATING CANCER | CDK6, CDK5, CDK4 | ABCG2 2761/4885KEAP1 851/4885NFE2L2 1515/4885 |
“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.