Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 8/20 | 0.36 |
| ▸ | GSK3A | P49840 | 7/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | CDC25B | P30305 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CASP1 | P29466 | 2/20 | 0.32 |
| ▸ | BLM | P54132 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
| ▸ | CDK5 | Q00535 | 4/20 | 0.32 |
| ▸ | CDK5R1 | Q15078 | 4/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
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 | 0.78 | ALDH1A1 (0.53) | MAOAMAOBALDH1A1KDM4EGAA | |
| SCHEMBL12413536 | 0.70 | — | — | |
| SCHEMBL11865351 | 0.68 | ALDH1A1 (0.50) | MAOAMAOBCDC25BALDH1A1KDM4E | |
| SCHEMBL12413592 | 0.66 | CHEK1 (0.32) | GSK3BALDH1A1KDM4EGAACDK5 | |
| SCHEMBL3328282 | 0.65 | MAOA (0.43) | MAOAMAOBCDC25BALDH1A1KDM4E | |
| SCHEMBL828249 | 0.65 | XIAP (0.39) | ALDH1A1SMN1; SMN2MAPK1CDK5CDK5R1 | |
| SCHEMBL562478 | 0.64 | PDE3B (0.56) | MAOAMAOBCDC25BALDH1A1MAPT | |
| SCHEMBL14806780 | 0.64 | NPSR1 (0.45) | MAOAMAOBCDC25BALDH1A1KDM4E | |
| SCHEMBL9677675 | 0.62 | — | — | |
| SCHEMBL10961406 | 0.61 | MEN1 (0.56) | GSK3BGSK3ACDK5CDK5R1KDR |
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 | GSK3B 715/4885GSK3A 946/4885MAOA 89/4885 |
“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.