Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.50 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.50 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.50 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.50 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.50 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.50 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.50 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CRHBP | P24387 | 1/20 | 0.46 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1740852 | 0.80 | CYP1A2 (0.67) | CYP1A2HSD17B10SIGMAR1GRIN2DGRIN3B | |
| SCHEMBL20048456 | 0.79 | TDP1 (0.48) | CYP1A2SIGMAR1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL6422898 | 0.76 | HSD17B10 (0.62) | CYP1A2HSD17B10SIGMAR1GRIN2DGRIN3B | |
| SCHEMBL1741887 | 0.75 | CYP1A2 (0.59) | CYP1A2HSD17B10SIGMAR1GRIN2DGRIN3B | |
| SCHEMBL20037194 | 0.74 | HSD17B10 (0.51) | CYP1A2HSD17B10KMT2AMEN1MAPT | |
| Hydrochloric Acid SCHEMBL28340523 | 0.73 | CYP1A2 (0.57) | CYP1A2HSD17B10SIGMAR1GRIN2DGRIN3B | |
| SCHEMBL22995856 | 0.73 | CYP1A2 (0.67) | CYP1A2HSD17B10SIGMAR1GRIN2DGRIN3B | |
| SCHEMBL1886408 | 0.73 | CYP1A2 (1.00) | CYP1A2HSD17B10SIGMAR1GRIN2DGRIN3B | |
| SCHEMBL166848 | 0.73 | HSD17B10 (0.69) | CYP1A2HSD17B10SIGMAR1GRIN2DGRIN3B | |
| SCHEMBL14432349 | 0.73 | HSD17B10 (0.58) | CYP1A2HSD17B10SIGMAR1GRIN2DGRIN3B |
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 |