Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.31 |
| ▸ | CDK1 | P06493 | 1/20 | 0.31 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.31 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.31 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12413534 | 0.70 | ALDH1A1 (0.53) | ALDH1A1KDM4EGAAHSD17B10 | |
| SCHEMBL12413536 | 0.69 | — | — | |
| SCHEMBL12413535 | 0.66 | GSK3B (0.36) | ALDH1A1KDM4EGAAGSK3BCDK5 | |
| SCHEMBL13059935 | 0.65 | CHEK1 (0.50) | CHEK1CCNB2CDK1CCNB1GSK3B | |
| SCHEMBL12291887 | 0.64 | CHEK1 (0.57) | CHEK1ALDH1A1CCNB2CDK1CCNB1 | |
| SCHEMBL9677675 | 0.64 | — | — | |
| SCHEMBL16624015 | 0.63 | CES1 (0.43) | ALDH1A1GAA | |
| SCHEMBL19327187 | 0.61 | CHEK1 (0.46) | CHEK1CCNB2CDK1CCNB1GSK3B | |
| SCHEMBL17121921 | 0.61 | CHEK1 (0.46) | CHEK1CCNB2CDK1CCNB1GSK3B | |
| SCHEMBL7271386 | 0.59 | MEN1 (0.48) | CHEK1ALDH1A1GAACCNB2CDK1 |
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-8765757-B2 | 3-heterocyclic substituted indole derivatives and methods of use thereof | MERCK SHARP & DOHME CORP. (US) | 2014-07-01 | — | — | US | disclosed |
| US-20110165118-A1 | 3-HETEROCYCLIC SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF | SCHERING CORPORATION | 2011-07-07 | — | — | 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-20110165118-A1 | 3-HETEROCYCLIC SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF | IDO1, IDO2, HTR3C | CHEK1 2129/4885ALDH1A1 1668/4885KDM4E 1606/4885 |
“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.