Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | HTT | P42858 | 2/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 4/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | CASP1 | P29466 | 1/20 | 0.56 |
| ▸ | CASP7 | P55210 | 1/20 | 0.56 |
| ▸ | KLK6 | Q92876 | 1/20 | 0.55 |
| ▸ | EGFR | P00533 | 1/20 | 0.54 |
| ▸ | SRC | P12931 | 1/20 | 0.54 |
| ▸ | HTR6 | P50406 | 3/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL7127236 | 0.87 | EGFR (0.71) | ALDH1A1HTTTSHRKDM4EPOLB | |
| SCHEMBL9011379 | 0.86 | HTR6 (0.54) | ALDH1A1KDM4EMAPTGAAEGFR | |
| SCHEMBL1165573 | 0.85 | KDM4E (0.68) | ALDH1A1HTTTSHRKDM4EPOLB | |
| SCHEMBL31487317 | 0.85 | KDM4E (0.68) | ALDH1A1HTTTSHRKDM4EPOLB | |
| SCHEMBL2204353 | 0.85 | HTR6 (0.74) | ALDH1A1TSHRKDM4EMAPTGAA | |
| SCHEMBL6701627 | 0.85 | KDM4E (0.68) | ALDH1A1KDM4EHTR6HSD17B10HTR1A | |
| SCHEMBL4557305 | 0.82 | ALDH1A1 (0.66) | ALDH1A1HTTTSHRKDM4EPOLB | |
| SCHEMBL30343681 | 0.82 | ALDH1A1 (0.71) | ALDH1A1HTTTSHRKDM4EPOLB | |
| SCHEMBL5207930 | 0.82 | EGFR (0.66) | ALDH1A1HTTTSHRKDM4EPOLB | |
| SCHEMBL1740428 | 0.82 | ALDH1A1 (0.71) | ALDH1A1HTTTSHRKDM4EPOLB |
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 |
|---|---|---|---|---|---|---|---|
| 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 |