Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 16/20 | 0.74 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.65 |
| ▸ | HTR2A | P28223 | 2/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | HTR2B | P41595 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 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 | |
|---|---|---|---|---|
| SCHEMBL11445688 | 0.89 | HTR2C (0.71) | HTR2CALDH1A1HTR2ACYP1A2CYP3A4 | |
| SCHEMBL11454097 | 0.85 | HTR2C (0.72) | HTR2CALDH1A1HTR2ACYP1A2CYP3A4 | |
| SCHEMBL5872618 | 0.85 | HTR2C (1.00) | HTR2CALDH1A1HTR2ACYP1A2CYP3A4 | |
| SCHEMBL5872615 | 0.85 | HTR2C (1.00) | HTR2CALDH1A1HTR2ACYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL7053381 | 0.84 | HTR2C (0.97) | HTR2CALDH1A1HTR2ACYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL7053385 | 0.84 | HTR2C (0.97) | HTR2CALDH1A1HTR2ACYP1A2CYP3A4 | |
| SCHEMBL5872565 | 0.83 | HTR2C (1.00) | HTR2CALDH1A1HTR2ACYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL5872569 | 0.82 | HTR2C (0.97) | HTR2CALDH1A1HTR2ACYP1A2CYP3A4 | |
| SCHEMBL11453721 | 0.82 | HTR2C (0.67) | HTR2CALDH1A1HTR2ACYP1A2CYP3A4 | |
| SCHEMBL25045478 | 0.81 | HTR2C (0.67) | HTR2CALDH1A1HTR2ACYP1A2CYP3A4 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4089958-A | HYPOTENSIVE AGENTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1978-05-16 | — | — | US | claimed |
| US-4032639-A | 2,3,4,4A-Tetrahydro-1H-pyrazino[1,2-a,]quinoxalin-5(6H)-ones and derivatives thereof for relieving hypertension | AMERICAN HOME PRODUCTS CORPORATION (US) | 1977-06-28 | — | — | US | claimed |
| US-4182872-A | CORRESPONDING 4-CARBOBENZOXY COMPOUNDS, 2,3,4,4A-TETRAHYDRO-1H-PYRAZINO(1,2-A)QUINOXALIN-5(6H)-ONES, 2,3,4,4A,5,6-HEXAHYDRO-1H-PYRAZINO(1,2-A)QUINOXALINES, HYPOTENSIVE | AMERICAN HOME PRODUCTS CORPORATION (US) | 1980-01-08 | — | — | US | disclosed |
| US-4182869-A | HYPOTENSIVE AGENTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1980-01-08 | — | — | US | disclosed |
| US-4138567-A | HYPOTENSIVE | AMERICAN HOME PRODUCTS CORPORATION (US) | 1979-02-06 | — | — | US | disclosed |
| US-4089958-A | HYPOTENSIVE AGENTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1978-05-16 | — | — | US | disclosed |
| US-4032639-A | 2,3,4,4A-Tetrahydro-1H-pyrazino[1,2-a,]quinoxalin-5(6H)-ones and derivatives thereof for relieving hypertension | AMERICAN HOME PRODUCTS CORPORATION (US) | 1977-06-28 | — | — | US | disclosed |