Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 9/20 | 0.67 |
| ▸ | HTR7 | P34969 | 8/20 | 0.67 |
| ▸ | HTR2A | P28223 | 8/20 | 0.67 |
| ▸ | HTR6 | P50406 | 5/20 | 0.67 |
| ▸ | DRD3 | P35462 | 7/20 | 0.66 |
| ▸ | DRD2 | P14416 | 6/20 | 0.66 |
| ▸ | HTR1A | P08908 | 5/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.66 |
| ▸ | TSHR | P16473 | 2/20 | 0.66 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.66 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.66 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.66 |
| ▸ | THPO | P40225 | 1/20 | 0.66 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.66 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.66 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.66 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.66 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.66 |
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 | |
|---|---|---|---|---|
| SCHEMBL5198490 | 0.88 | DRD4 (0.75) | DRD4HTR7HTR2AHTR6DRD3 | |
| SCHEMBL5196847 | 0.84 | HTR7 (0.75) | DRD4HTR7HTR2AHTR6DRD3 | |
| SCHEMBL8858037 | 0.83 | DRD4 (0.77) | DRD4HTR7HTR2AHTR6DRD3 | |
| SCHEMBL5198789 | 0.82 | DRD4 (0.80) | DRD4HTR7HTR2AHTR6DRD3 | |
| SCHEMBL8858038 | 0.82 | DRD4 (0.80) | DRD4HTR7HTR2AHTR6DRD3 | |
| SCHEMBL8857992 | 0.82 | DRD4 (0.74) | DRD4HTR7HTR2AHTR6DRD3 | |
| SCHEMBL8857996 | 0.82 | HTR7 (0.78) | DRD4HTR7HTR2AHTR6DRD3 | |
| SCHEMBL5198686 | 0.81 | DRD4 (1.00) | DRD4HTR7HTR2AHTR6DRD3 | |
| SCHEMBL8857972 | 0.80 | HTR7 (0.80) | DRD4HTR7HTR2AHTR6DRD3 | |
| SCHEMBL5198948 | 0.80 | HTR7 (1.00) | DRD4HTR7HTR2AHTR6DRD3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5622950-A | Pyrrolo-pyridine derivatives | MERCK, SHARP & DOHME LTD. (GB) | 1997-04-22 | — | — | US | disclosed |
| US-5576319-A | Pyrrolo-pyridine derivatives | MERCK, SHARP & DOHME LTD. (GB) | 1996-11-19 | — | — | US | disclosed |
| US-5432177-A | Pyrrolo-pyridine derivatives | MERCK SHARPE & DOHME LTD. (GB) | 1995-07-11 | — | — | US | disclosed |
| EP-0623618-A2 | Pyrrolo-pyridine derivatives | MERCK SHARP & DOHME LTD. (GB) | 1994-11-09 | — | — | EP | disclosed |
| WO-1994020497-A1 | PYRROLO-PYRIDINE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 1994-09-15 | — | — | WO | disclosed |