Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.45 |
| ▸ | DRD3 | P35462 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.45 |
| ▸ | HTR4 | Q13639 | 3/20 | 0.45 |
| ▸ | DRD2 | P14416 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | HTR1A | P08908 | 2/20 | 0.45 |
| ▸ | DRD1 | P21728 | 2/20 | 0.45 |
| ▸ | HTR2A | P28223 | 2/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.45 |
| ▸ | HTR7 | P34969 | 2/20 | 0.45 |
| ▸ | HRH1 | P35367 | 2/20 | 0.45 |
| ▸ | HTR2B | P41595 | 2/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.45 |
| ▸ | MLNR | O43193 | 1/20 | 0.45 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.45 |
| ▸ | HTR3B | O95264 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8416209 | 0.89 | KCNH2 (0.45) | KCNH2DRD3CYP3A4CYP2D6HTR4 | |
| SCHEMBL8417804 | 0.88 | DRD3 (0.50) | KCNH2DRD3CYP2D6DRD2HTR1A | |
| SCHEMBL8865738 | 0.87 | KCNH2 (0.52) | KCNH2DRD3CYP3A4CYP2D6HTR4 | |
| SCHEMBL8866468 | 0.84 | KCNH2 (0.48) | KCNH2DRD3CYP3A4CYP2D6HTR4 | |
| SCHEMBL8865630 | 0.83 | HTR4 (0.52) | KCNH2DRD3CYP3A4CYP2D6HTR4 | |
| SCHEMBL8866229 | 0.83 | HTR4 (0.64) | KCNH2DRD3CYP3A4CYP2D6HTR4 | |
| SCHEMBL29904381 | 0.83 | HTR4 (0.52) | KCNH2DRD3CYP3A4CYP2D6HTR4 | |
| Water SCHEMBL7130515 | 0.83 | KCNH2 (0.49) | KCNH2DRD3CYP3A4CYP2D6HTR4 | |
| SCHEMBL8414975 | 0.82 | ALDH1A1 (0.50) | DRD2HTR2AHTR2BHTR2CL3MBTL1 | |
| SCHEMBL8415110 | 0.78 | HTR2A (0.54) | DRD3CYP2D6DRD2HTR1ADRD1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0650475-B1 | 4-AMINO-N-(4-METHYL-4-PIPERIDINYL)-2-METHOXYBENZAMIDES, THEIR PREPARATION AND THEIR USE AS 5-HT2 ANTAGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 1999-09-01 | — | — | EP | disclosed |