Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.51 |
| ▸ | ABCB1 | P08183 | 8/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.43 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7029021 | 0.92 | ABCB1 (0.46) | ABCG2ABCB1MAPTNPSR1 | |
| SCHEMBL746910 | 0.91 | ABCG2 (0.54) | ABCG2ABCB1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7026486 | 0.91 | MAPT (0.53) | ABCB1CYP3A4CYP2C9CYP2C19MAOB | |
| SCHEMBL7025976 | 0.91 | ABCB1 (0.51) | ABCB1MAOBMAPTNPSR1 | |
| SCHEMBL7030660 | 0.91 | TDP1 (0.50) | ABCG2ABCB1MAPTNPSR1 | |
| SCHEMBL13075705 | 0.88 | ABCG2 (0.51) | ABCG2ABCB1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7025952 | 0.88 | ABCB1 (0.54) | ABCB1MAOBMAPTNPSR1 | |
| SCHEMBL7028113 | 0.88 | MAPT (0.43) | ABCG2ABCB1KCNA3MAPTNPSR1 | |
| SCHEMBL7027366 | 0.88 | PDPK1 (0.47) | ABCG2ABCB1MAOBMAPTNPSR1 | |
| SCHEMBL7026784 | 0.86 | ABCB1 (0.49) | ABCG2ABCB1MAOBMAPTNPSR1 |
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 2761/4885ABCB1 2307/4885CYP1A2 4422/4885 |
“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.