Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 8/20 | 0.38 |
| ▸ | DRD3 | P35462 | 7/20 | 0.38 |
| ▸ | HTR2A | P28223 | 6/20 | 0.38 |
| ▸ | HTR7 | P34969 | 6/20 | 0.38 |
| ▸ | DRD2 | P14416 | 5/20 | 0.38 |
| ▸ | HTR6 | P50406 | 4/20 | 0.38 |
| ▸ | HTR1A | P08908 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21733021 | 0.80 | PDK2 (0.47) | CYP1A2MAPK1RET | |
| SCHEMBL17857651 | 0.74 | HTR1A (0.40) | HTR1ACYP1A2HIF1AALOX15HTR2C | |
| SCHEMBL18324978 | 0.74 | GRM4 (0.52) | CYP1A2ALDH1A1POLB | |
| SCHEMBL17837771 | 0.74 | CDC7 (0.39) | CYP1A2CYP3A4CYP2D6MAPK1LMNA | |
| Hydrochloric Acid SCHEMBL17837407 | 0.73 | HTR1A (0.40) | HTR1ACYP1A2HIF1AALOX15HTR2C | |
| Hydrochloric Acid SCHEMBL17837567 | 0.73 | HTR1A (0.40) | HTR1ACYP1A2HIF1AALOX15HTR2C | |
| SCHEMBL3832735 | 0.71 | PDK2 (0.39) | DRD4DRD3DRD2CYP1A2KMT2A | |
| SCHEMBL17837742 | 0.70 | KMT2A (0.46) | CYP1A2CYP3A4CYP2D6MAPK1LMNA | |
| SCHEMBL17837617 | 0.69 | AXL (0.42) | — | |
| SCHEMBL17837721 | 0.69 | AXL (0.49) | — |
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-2016022644-A1 | HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-02-11 | — | — | WO | disclosed |