Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 5/20 | 0.54 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.54 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.54 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | CCR6 | P51684 | 1/20 | 0.41 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.41 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.41 |
| ▸ | ITGAL | P20701 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL746105 | 0.92 | ABCB1 (0.57) | ABCB1TXNRD1TXNRD3TXNRD2MAPT | |
| SCHEMBL20859001 | 0.91 | TXNRD1 (0.55) | ABCB1TXNRD1TXNRD3TXNRD2MAPT | |
| SCHEMBL7029021 | 0.89 | ABCB1 (0.46) | ABCB1MAPTNPSR1 | |
| SCHEMBL7028079 | 0.88 | ABCG2 (0.51) | ABCB1MAPTNPSR1MAOB | |
| SCHEMBL7026486 | 0.88 | MAPT (0.53) | ABCB1MAPTNPSR1MAOB | |
| SCHEMBL7025976 | 0.87 | ABCB1 (0.51) | ABCB1MAPTNPSR1MAOB | |
| SCHEMBL7025959 | 0.87 | AR (0.46) | ABCB1MAPTALDH1A1POLBNPSR1 | |
| SCHEMBL7027366 | 0.84 | PDPK1 (0.47) | ABCB1MAPTNPSR1LMNAMAOB | |
| SCHEMBL7028113 | 0.84 | MAPT (0.43) | ABCB1MAPTNPSR1 | |
| SCHEMBL7030660 | 0.83 | TDP1 (0.50) | ABCB1MAPTALDH1A1RECQLNPSR1 |
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 | ABCB1 2307/4885TXNRD1 1276/4885TXNRD3 1677/4885 |
“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.