Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 9/20 | 0.60 |
| ▸ | HTR2C | P28335 | 4/20 | 0.60 |
| ▸ | DRD2 | P14416 | 3/20 | 0.56 |
| ▸ | DRD3 | P35462 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | HTR7 | P34969 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10865028 | 0.99 | HTR1A (0.59) | HTR1AHTR2CDRD2DRD3MEN1 | |
| SCHEMBL10863541 | 0.92 | HTR1A (0.52) | HTR1AHTR2CDRD2DRD3HTR7 | |
| SCHEMBL10864701 | 0.91 | HTR1A (0.58) | HTR1AHTR2CDRD2DRD3MEN1 | |
| Hydrochloric Acid SCHEMBL10864557 | 0.91 | HTR1A (0.51) | HTR1AHTR2CDRD2DRD3 | |
| SCHEMBL10864089 | 0.90 | HTR1A (0.56) | HTR1AHTR2CDRD2DRD3 | |
| SCHEMBL10863803 | 0.89 | SIGMAR1 (0.53) | HTR2CDRD2DRD3HTR7 | |
| SCHEMBL10863723 | 0.88 | HTR1A (0.54) | HTR1AHTR2CDRD2DRD3HTR7 | |
| SCHEMBL10966019 | 0.82 | HTR1A (0.58) | HTR1AHTR2CDRD2DRD3HTR7 | |
| SCHEMBL10864387 | 0.82 | DRD4 (0.68) | HTR1ADRD2KMT2A | |
| Hydrochloric Acid SCHEMBL10865378 | 0.82 | HTR1A (0.58) | HTR1AHTR2CDRD2DRD3HTR7 |
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-4613598-A | HYPOTENSIVE AGENTS | MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) | 1986-09-23 | — | — | US | disclosed |
| EP-0154969-A2 | Piperazine derivatives and their acid addition salts | MITSUBISHI KASEI CORPORATION (JP) | 1985-09-18 | — | — | EP | disclosed |