Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.53 |
| ▸ | DRD2 | P14416 | 2/20 | 0.53 |
| ▸ | DRD3 | P35462 | 2/20 | 0.53 |
| ▸ | DRD1 | P21728 | 1/20 | 0.53 |
| ▸ | DRD4 | P21917 | 1/20 | 0.53 |
| ▸ | DRD5 | P21918 | 1/20 | 0.53 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 5/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.52 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.50 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.50 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.50 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.50 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL11679349 | 0.92 | MEN1 (0.60) | HTR2ADRD2DRD3DRD1DRD4 | |
| SCHEMBL11680315 | 0.90 | DRD2 (0.55) | HTR2ADRD2DRD3DRD1DRD4 | |
| SCHEMBL11682408 | 0.89 | MAPT (0.64) | HTR2ADRD2DRD3DRD1DRD4 | |
| SCHEMBL11680841 | 0.83 | HTR2A (0.57) | HTR2ADRD2DRD3DRD1DRD4 | |
| SCHEMBL11834066 | 0.83 | HTR2A (0.62) | HTR2ADRD2DRD3DRD1DRD4 | |
| SCHEMBL11680519 | 0.81 | GOT1 (0.66) | HTR2ADRD2DRD3DRD1DRD4 | |
| SCHEMBL11843398 | 0.79 | ADRA2A (0.56) | HTR2AMAPTMEN1KMT2AACHE | |
| SCHEMBL11841997 | 0.79 | ADRA2A (0.70) | HTR2ADRD2DRD3DRD1DRD4 | |
| SCHEMBL11854414 | 0.78 | HTR2A (0.50) | HTR2ADRD2DRD3DRD1DRD4 | |
| SCHEMBL11850453 | 0.77 | KMT2A (0.56) | HTR2ADRD2DRD3MEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4024258-A | Composition of and method for reducing hypertension with a 1-[1-(indol-3-ylethyl)-piperazin-4-yl]-3-substituted urea | AMERICAN HOECHST CORPORATION (US) | 1977-05-17 | — | — | US | disclosed |
| US-3948918-A | HYPOTENSIVE | AMERICAN HOECHST CORPORATION (US) | 1976-04-06 | — | — | US | disclosed |