Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 5/20 | 0.52 |
| ▸ | DRD5 | P21918 | 5/20 | 0.52 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.48 |
| ▸ | DRD2 | P14416 | 4/20 | 0.47 |
| ▸ | DRD3 | P35462 | 4/20 | 0.47 |
| ▸ | DRD4 | P21917 | 2/20 | 0.47 |
| ▸ | MAOA | P21397 | 4/20 | 0.46 |
| ▸ | MAOB | P27338 | 4/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 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 | |
|---|---|---|---|---|
| SCHEMBL4435792 | 0.95 | DRD1 (0.58) | DRD1DRD5HRH3DRD2DRD3 | |
| Hydrochloric Acid SCHEMBL4438820 | 0.94 | DRD1 (0.57) | DRD1DRD5HRH3DRD2DRD3 | |
| Hydrochloric Acid SCHEMBL4563201 | 0.92 | DRD1 (0.53) | DRD1DRD5HRH3DRD2DRD3 | |
| SCHEMBL4563167 | 0.89 | DRD1 (0.42) | DRD1DRD5HRH3DRD2DRD3 | |
| SCHEMBL7286091 | 0.80 | HRH3 (0.56) | DRD1DRD5HRH3DRD2DRD3 | |
| SCHEMBL3723319 | 0.78 | NR1H2 (0.67) | HRH3 | |
| SCHEMBL29843474 | 0.78 | DRD1 (0.79) | DRD1DRD5DRD2DRD3DRD4 | |
| SCHEMBL4317508 | 0.78 | DRD1 (0.79) | DRD1DRD5DRD2DRD3DRD4 | |
| SCHEMBL20119176 | 0.76 | DRD1 (0.51) | DRD1DRD5HRH3DRD2DRD3 | |
| SCHEMBL875632 | 0.76 | ALOX15 (0.57) | HRH3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009034029-A2 | 1-SUBSTITUTED 4-HETEROCYCLYLPIPERIDINES FOR USE AS CGRP ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-03-19 | — | — | WO | disclosed |