Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.61 |
| ▸ | MAPT | P10636 | 2/20 | 0.61 |
| ▸ | GAA | P10253 | 1/20 | 0.61 |
| ▸ | CASP1 | P29466 | 1/20 | 0.61 |
| ▸ | CASP7 | P55210 | 1/20 | 0.61 |
| ▸ | KLK6 | Q92876 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.50 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.50 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.50 |
| ▸ | KLK7 | P49862 | 1/20 | 0.50 |
| ▸ | KLK14 | Q9P0G3 | 1/20 | 0.50 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | EGFR | P00533 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5851002 | 0.88 | KDM4E (0.59) | KDM4EALDH1A1MAPTGAACASP1 | |
| SCHEMBL1165573 | 0.86 | KDM4E (0.68) | KDM4EALDH1A1MAPTGAACASP1 | |
| SCHEMBL31487317 | 0.86 | KDM4E (0.68) | KDM4EALDH1A1MAPTGAACASP1 | |
| SCHEMBL20037329 | 0.82 | MAPT (0.71) | KDM4EALDH1A1MAPTGAACASP1 | |
| SCHEMBL1191332 | 0.81 | KDM4E (0.69) | KDM4EALDH1A1MAPTGAACASP1 | |
| SCHEMBL20037245 | 0.81 | KDM4E (0.61) | KDM4EALDH1A1MAPTGAACASP1 | |
| SCHEMBL20037042 | 0.81 | KLK6 (0.61) | KDM4EALDH1A1MAPTGAACASP1 | |
| SCHEMBL5643293 | 0.81 | ALDH1A1 (0.65) | KDM4EALDH1A1MAPTGAACASP1 | |
| SCHEMBL27423051 | 0.77 | KDM4E (0.57) | KDM4EALDH1A1MAPTGAACASP1 | |
| SCHEMBL20037195 | 0.77 | MAPT (0.59) | KDM4EALDH1A1MAPTGAACASP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018065607-A1 | CHEMICAL SUBSTANCES WHICH INHIBIT THE ENZYMATIC ACTIVITY OF HUMAN KALLIKREIN RELATED PEPTIDASE 6 (KLK6) | Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) | 2018-04-12 | — | — | WO | disclosed |
| EP-3305781-A1 | CHEMICAL SUBSTANCES WHICH INHIBIT THE ENZYMATIC ACTIVITY OF HUMAN KALLIKREIN-RELATED PEPTIDASE 6 (KLK6) | Deutsches Krebsforschungszentrum (DE) | 2018-04-11 | — | — | EP | disclosed |