Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR7 | P34969 | 7/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TACR3 | P29371 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1717543 | 0.89 | HTR7 (0.46) | HTR7ALDH1A1TACR3KDM4EALOX15 | |
| SCHEMBL1717384 | 0.88 | HTR7 (0.49) | HTR7TACR3HTR1AHSD17B10 | |
| SCHEMBL1718314 | 0.87 | GFER (0.51) | HTR7ALDH1A1LMNATACR3KDM4E | |
| SCHEMBL1718018 | 0.87 | TACR3 (0.43) | HTR7ALDH1A1TACR3KDM4ECYP1A2 | |
| SCHEMBL1718231 | 0.86 | TACR3 (0.49) | ALDH1A1LMNATACR3KDM4ECYP1A2 | |
| SCHEMBL1718058 | 0.86 | TACR3 (0.47) | HTR7TACR3 | |
| SCHEMBL1717913 | 0.86 | TACR3 (0.48) | TACR3CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL1717750 | 0.86 | HTR7 (0.43) | HTR7TACR3HTR1A | |
| SCHEMBL1717555 | 0.85 | TACR3 (0.48) | ALDH1A1LMNATACR3KDM4ECYP1A2 | |
| SCHEMBL1717859 | 0.85 | TACR3 (0.48) | ALDH1A1LMNATACR3KDM4ECYP1A2 |
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-2150534-B1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | LUNDBECK & CO AS H (DK) | 2012-01-11 | — | — | EP | claimed |
| EP-2150534-B1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | LUNDBECK & CO AS H (DK) | 2012-01-11 | — | — | EP | disclosed |