Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR7 | P34969 | 5/20 | 0.36 |
| ▸ | HTR2B | P41595 | 2/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.35 |
| ▸ | DRD2 | P14416 | 2/20 | 0.35 |
| ▸ | HTR3A | P46098 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.32 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.32 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.32 |
| ▸ | HTR3B | O95264 | 1/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | HTR3D | Q70Z44 | 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 | |
|---|---|---|---|---|
| SCHEMBL7004741 | 0.83 | HTR7 (0.34) | HTR7ALDH1A1HSD17B10HPGDCYP2C19 | |
| SCHEMBL7009460 | 0.73 | HCRTR2 (0.34) | LMNAMAPT | |
| SCHEMBL7011132 | 0.70 | CYP1A2 (0.34) | HTR7HTR2BDRD2HTR3AALDH1A1 | |
| SCHEMBL7144062 | 0.70 | KMT2A (0.40) | ALDH1A1KDM4EHSD17B10HPGDDRD3 | |
| SCHEMBL7008780 | 0.68 | HTR1A (0.38) | HTR7SIGMAR1DRD2HTR3AHSD17B10 | |
| SCHEMBL7151385 | 0.67 | NPY5R (0.38) | DRD2ALDH1A1KDM4EHSD17B10HPGD | |
| SCHEMBL7012737 | 0.67 | GABRP (0.45) | HTR6NPY5R | |
| SCHEMBL7013385 | 0.67 | NPY5R (0.38) | ALDH1A1KDM4ENPY5RMAPT | |
| SCHEMBL7007085 | 0.67 | NAAA (0.39) | HTR6LMNA | |
| SCHEMBL7145511 | 0.66 | NPY5R (0.35) | HTR7HTR2BHTR3AHTR6NPY5R |
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-1129089-A4 | SPIRO-INDOLINES AS Y5 RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2003-01-22 | — | — | EP | disclosed |
| EP-1129089-A1 | SPIRO-INDOLINES AS Y5 RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2001-09-05 | — | — | EP | disclosed |
| WO-2000027845-A1 | SPIRO-INDOLINES AS Y5 RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2000-05-18 | — | — | WO | disclosed |