Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | VNN1 | O95497 | 1/20 | 0.37 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.37 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.37 |
| ▸ | CFTR | P13569 | 1/20 | 0.36 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
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 SCHEMBL6814523 | 0.99 | GAA (0.41) | GAATHRBCYP3A4CYP1A2CYP2C9 | |
| SCHEMBL8862553 | 0.85 | CYP1A2 (0.43) | GAATHRBCYP3A4CYP1A2CYP2C9 | |
| Hydrochloric Acid SCHEMBL8862777 | 0.84 | CYP3A4 (0.42) | GAATHRBCYP3A4CYP1A2CYP2C9 | |
| SCHEMBL22457837 | 0.83 | GRIN2D (0.54) | CYP1A2CYP2C19CYP2D6LMNAKDM4E | |
| SCHEMBL8862948 | 0.82 | CYP3A4 (0.41) | GAATHRBCYP3A4CYP1A2CYP2C9 | |
| SCHEMBL9368319 | 0.79 | PDE4A (0.41) | GAACYP3A4CYP1A2CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL8862706 | 0.78 | PDE4A (0.40) | CYP3A4CYP1A2CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL13523744 | 0.76 | MAOA (0.44) | GAATHRBCYP3A4CYP1A2CYP2C9 | |
| SCHEMBL9570946 | 0.75 | CYP1A2 (0.44) | CYP3A4CYP1A2CYP2C9CYP2C19CYP2D6 | |
| Fumaric Acid SCHEMBL8863069 | 0.74 | GAA (0.41) | GAATHRBCYP3A4CYP2C19LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1073431-B1 | USE OF NMDA ANTAGONISTS FOR TREATMENT OF IRRITABLE BOWEL SYNDROME | ASTRAZENECA AB (SE) | 2004-07-07 | — | — | EP | claimed |
| EP-0612314-B1 | 2-PYRAZINYLETHYLAMINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS | ASTRA AB (SE) | 1999-12-29 | — | — | EP | claimed |
| US-5607935-A | 2-heterocyclicethylamine derivatives and their use as pharmaceuticals | FISONS CORPORATION (US) | 1997-03-04 | — | — | US | claimed |
| EP-0540318-A1 | 2-Heterocyclicethylamine derivatives and their use as pharmaceuticals | FISONS CORPORATION (US) | 1993-05-05 | — | — | EP | claimed |