Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | HTR4 | Q13639 | 6/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | HTR3A | P46098 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.38 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.38 |
| ▸ | HTR3B | O95264 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MPO | P05164 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 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 | |
|---|---|---|---|---|
| SCHEMBL22987088 | 0.84 | GAA (0.48) | GAAHTR4CYP3A4CYP2D6HTR3A | |
| SCHEMBL7267139 | 0.83 | GAA (0.50) | GAAHTR4CYP3A4CYP2D6HTR3A | |
| SCHEMBL99475 | 0.81 | TSHR (0.53) | GAAHTR4CYP3A4CYP2D6HTR3A | |
| SCHEMBL7367657 | 0.81 | PTPN11 (0.52) | HTR4CYP3A4TSHRLMNAADRA2A | |
| SCHEMBL5150764 | 0.77 | HTR4 (0.71) | HTR4CYP3A4CYP2D6HTR3ACYP1A2 | |
| SCHEMBL99019 | 0.76 | GAA (0.73) | GAAHTR4CYP3A4CYP2D6HTR3A | |
| SCHEMBL9458226 | 0.74 | GAA (0.61) | GAAHTR4CYP3A4CYP2D6HTR3A | |
| Hydrochloric Acid SCHEMBL7442414 | 0.74 | GAA (0.71) | GAAHTR4CYP3A4CYP2D6HTR3A | |
| SCHEMBL9777139 | 0.73 | HTR3A (0.72) | CYP2D6HTR3ACYP2C9HTR3EHTR3B | |
| SCHEMBL7266033 | 0.73 | HTR4 (0.44) | GAAHTR4DRD2ACHE |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5273972-A | [(2-diakylaminomethyl)-3-quinuclidinyl]-benzamides and benzoates | A. H. ROBINS COMPANY, INCORPORATED (US) | 1993-12-28 | — | — | US | disclosed |
| US-5244907-A | Treatment of serotonin imbalance, increase in gastric motility, antiemetics, antiarrhythmia agents | A. H. ROBINS COMPANY, INCORPORATED (US) | 1993-09-14 | — | — | US | disclosed |
| US-5236931-A | Treating anxiety, psychosis, cognitive dysfunction, migrane, cluster headache, trigeminal neuralgia emesis and impaired gastric motility | A. H. ROBINS COMPANY, INCORPORATED (US) | 1993-08-17 | — | — | US | disclosed |
| US-5190953-A | 1-azabicyclo(3.2.1.)octan-5-ylmethyl- or 1-azabicyclo(3.3.1) nonan-5-ylmethyl derivatives of carboxamides, thiocarboxamides or esters, thioesters | A. H. ROBINS COMPANY, INCORPORATED (US) | 1993-03-02 | — | — | US | disclosed |
| US-5137895-A | Antiemetic, anxiolytic, gastric emptying and serotonin modulating activity | A. H. ROBINS COMPANY, INCORPORATED (US) | 1992-08-11 | — | — | US | disclosed |