Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 3/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.33 |
| ▸ | DRD2 | P14416 | 3/20 | 0.33 |
| ▸ | DRD1 | P21728 | 3/20 | 0.33 |
| ▸ | DRD4 | P21917 | 3/20 | 0.33 |
| ▸ | DRD3 | P35462 | 3/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9389579 | 0.94 | NQO2 (0.38) | NQO2CYP19A1GPR84MAPTKDM4E | |
| SCHEMBL9385714 | 0.83 | HTR1B (0.43) | NQO2CYP19A1KDM4EALDH1A1LMNA | |
| SCHEMBL9094148 | 0.81 | NQO2 (0.35) | NQO2CYP19A1GPR84MAPTKDM4E | |
| SCHEMBL9387336 | 0.79 | NQO2 (0.42) | NQO2CYP19A1GPR84MAPTKDM4E | |
| SCHEMBL9095651 | 0.78 | ALDH1A1 (0.43) | NQO2CYP19A1MAPTKDM4EALDH1A1 | |
| SCHEMBL12559831 | 0.78 | NQO2 (0.55) | NQO2CYP19A1MAPTKDM4EALDH1A1 | |
| SCHEMBL9386148 | 0.76 | ALDH1A1 (0.47) | NQO2CYP19A1MAPTKDM4EALDH1A1 | |
| SCHEMBL9386591 | 0.74 | ADRB2 (0.43) | ADRB2DRD2DRD1DRD4DRD3 | |
| SCHEMBL2611661 | 0.73 | KDM4E (0.47) | NQO2CYP19A1MAPTKDM4EALDH1A1 | |
| SCHEMBL9213988 | 0.73 | GPR84 (0.41) | GPR84KDM4EPDE3BPDE3A |
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-0957100-B1 | DIAMINE DERIVATIVES AND PHARMACEUTICAL CONTAINING THE SAME | KOWA CO (JP) | 2004-10-27 | — | — | EP | disclosed |
| EP-0957100-A1 | DIAMINE DERIVATIVES AND PHARMACEUTICAL CONTAINING THE SAME | Kowa Co., Ltd. (JP) | 1999-11-17 | — | — | EP | disclosed |