Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 12/20 | 0.60 |
| ▸ | DRD3 | P35462 | 8/20 | 0.60 |
| ▸ | DRD2 | P14416 | 8/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | HTR1A | P08908 | 2/20 | 0.49 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.48 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.48 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2395932 | 0.81 | DRD4 (0.67) | DRD4DRD3DRD2HTR1AHTT | |
| SCHEMBL6585625 | 0.78 | DRD4 (0.63) | DRD4DRD3DRD2HTR1AHTT | |
| SCHEMBL29188191 | 0.78 | DRD4 (0.67) | DRD4DRD3DRD2HTR1AHTT | |
| SCHEMBL8704762 | 0.75 | DRD4 (1.00) | DRD4DRD3DRD2 | |
| SCHEMBL15024205 | 0.74 | DRD4 (0.59) | DRD4DRD3DRD2HTR1AHTT | |
| SCHEMBL2708167 | 0.74 | DRD4 (0.55) | DRD4DRD3DRD2HTR1AHTT | |
| Oxalic Acid SCHEMBL9704052 | 0.74 | MAPT (0.52) | LMNAALDH1A1MAPTSMN1; SMN2NR1H4 | |
| Oxalic Acid SCHEMBL9704039 | 0.74 | MAPT (0.52) | LMNAALDH1A1MAPTSMN1; SMN2NR1H4 | |
| SCHEMBL6653040 | 0.73 | DRD4 (0.52) | DRD4DRD3DRD2ALDH1A1MAPT | |
| SCHEMBL2566075 | 0.73 | DRD4 (0.58) | DRD4DRD3DRD2ALDH1A1TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5712285-A | Pyrrolo-pyridine derivatives | MERCK, SHARP & DOHME, LTD. (GB) | 1998-01-27 | — | — | US | disclosed |