Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DCTPP1 | Q9H773 | 3/20 | 0.44 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | PDE2A | O00408 | 2/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1159554 | 0.76 | GABRG2 (0.38) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL9691130 | 0.76 | HSD11B1 (0.43) | DCTPP1EGLN2HSD11B1PDE2APDE10A | |
| SCHEMBL2750732 | 0.75 | BRD4 (0.54) | POLBNPSR1KDM4EALDH1A1 | |
| SCHEMBL2804193 | 0.75 | KDM4E (0.54) | EGLN2POLBKDM4EALDH1A1 | |
| SCHEMBL9690834 | 0.74 | PDE2A (0.46) | DCTPP1HSD11B1PDE2APDE10APOLB | |
| SCHEMBL15364544 | 0.74 | SMN1; SMN2 (0.50) | DCTPP1HSD11B1PDE2APDE10AGABRA1 | |
| SCHEMBL15364917 | 0.74 | DCTPP1 (0.46) | DCTPP1EGLN2HSD11B1PDE2APDE10A | |
| SCHEMBL19338489 | 0.72 | MKNK1 (0.38) | EGLN2KDM4E | |
| SCHEMBL5801474 | 0.70 | MKNK1 (0.53) | KDM4EALDH1A1 | |
| SCHEMBL16417549 | 0.69 | SMN1; SMN2 (0.41) | GABRA1GABRG2GABRB3GABRA5GABRA3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2454259-A1 | DEUTERIUM-MODIFIED TRIAZOLO-PYRIDAZINE DERIVATIVES AS GABA-A RECEPTOR MODULATORS | Concert Pharmaceuticals Inc. (US) | 2012-05-23 | — | — | EP | disclosed |
| WO-2011005520-A1 | DEUTERIUM-MODIFIED TRIAZOLO-PYRIDAZINE DERIVATIVES AS GABA-A RECEPTOR MODULATORS | CONCERT PHARMACEUTICALS, INC. (US) | 2011-01-13 | — | — | WO | disclosed |