Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.62 |
| ▸ | BRAF | P15056 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 4/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22632995 | 0.81 | SMN1; SMN2 (0.59) | SMN1; SMN2ALDH1A1NPY5RMAPTRAB9A | |
| SCHEMBL11652228 | 0.81 | SMN1; SMN2 (0.68) | SMN1; SMN2BRAFSRCKDRRAB9A | |
| SCHEMBL20037041 | 0.80 | SMN1; SMN2 (0.72) | SMN1; SMN2ALDH1A1MAPTRAB9AL3MBTL1 | |
| Water SCHEMBL11654225 | 0.79 | SMN1; SMN2 (0.70) | SMN1; SMN2ALDH1A1MAPTRAB9AL3MBTL1 | |
| SCHEMBL6966371 | 0.77 | SMN1; SMN2 (1.00) | SMN1; SMN2ALDH1A1MAPTRAB9A | |
| SCHEMBL14353348 | 0.77 | CYP1A2 (0.62) | SMN1; SMN2BRAFALDH1A1NPY5RMAPT | |
| SCHEMBL5904547 | 0.76 | P2RX7 (0.46) | SMN1; SMN2BRAFALDH1A1RAB9ANR3C1 | |
| SCHEMBL5904541 | 0.76 | P2RX7 (0.46) | BRAFATMRAB9ANR3C1P2RX7 | |
| SCHEMBL5904596 | 0.76 | BRAF (0.43) | BRAFNPY5RATMNR3C1CYP2C9 | |
| Water SCHEMBL11653913 | 0.76 | SMN1; SMN2 (0.66) | SMN1; SMN2ALDH1A1ATMMAPTRAB9A |
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 |