Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 4/20 | 0.37 |
| ▸ | DRD3 | P35462 | 4/20 | 0.37 |
| ▸ | PNMT | P11086 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.33 |
| ▸ | P2RY6 | Q15077 | 1/20 | 0.33 |
| ▸ | PPARD | Q03181 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | MLNR | O43193 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 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 | |
|---|---|---|---|---|
| SCHEMBL1734551 | 0.78 | HTR1A (0.51) | DRD2DRD3ESR1ESR2MLNR | |
| SCHEMBL10510209 | 0.78 | CYP4F2 (0.36) | DRD2DRD3ESR1ESR2PTGS2 | |
| SCHEMBL6846721 | 0.78 | HTR1A (0.51) | DRD2DRD3ESR1ESR2MLNR | |
| SCHEMBL8864150 | 0.78 | ESR1 (0.36) | DRD2DRD3PNMTESR1ESR2 | |
| SCHEMBL22613778 | 0.78 | ESR1 (0.39) | DRD2DRD3ESR1ESR2MLNR | |
| SCHEMBL1734549 | 0.78 | HTR1A (0.51) | DRD2DRD3ESR1ESR2MLNR | |
| SCHEMBL27849144 | 0.78 | ESR1 (0.56) | DRD2DRD3ESR1ESR2PTGS2 | |
| SCHEMBL12435372 | 0.78 | HTR1A (0.51) | DRD2DRD3ESR1ESR2MLNR | |
| SCHEMBL11048933 | 0.76 | ESR1 (0.57) | DRD2DRD3PNMTKDM1AESR1 | |
| SCHEMBL10509432 | 0.75 | DRD2 (0.36) | DRD2DRD3PNMTESR1ESR2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0145067-B1 | DERIVATIVES OF 2,2'-IMINOBISETHANOL | JANSSEN PHARMACEUTICA N.V. (BE) | 1989-01-25 | — | — | EP | disclosed |
| US-4654362-A | CARDIOVASCULAR DISORDERS | JANSSEN PHARMACEUTICA, N.V. (BE) | 1987-03-31 | — | — | US | disclosed |
| EP-0145067-A2 | Derivatives of 2,2'-iminobisethanol | JANSSEN PHARMACEUTICA N.V. (BE) | 1985-06-19 | — | — | EP | disclosed |