Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ACP3 | P15309 | 1/20 | 0.42 |
| ▸ | NQO2 | P16083 | 1/20 | 0.40 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.40 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6008057 | 0.79 | CYP1A2 (0.58) | CYP2D6CYP1A2CYP2C19CYP2C9TDP1 | |
| SCHEMBL20027298 | 0.79 | CYP2C19 (0.43) | CYP2D6CYP1A2CYP2C19CYP2C9ACHE | |
| SCHEMBL1680418 | 0.78 | CYP1A2 (0.53) | CYP2D6CYP1A2CYP2C19CYP2C9ACHE | |
| SCHEMBL7792968 | 0.74 | CYP1A2 (0.50) | CYP2D6CYP1A2CYP2C19CYP2C9ACHE | |
| SCHEMBL16623289 | 0.74 | CYP1A2 (0.52) | CYP2D6CYP1A2CYP2C19CYP2C9TDP1 | |
| SCHEMBL18381479 | 0.74 | CYP2C19 (0.52) | CYP2D6CYP1A2CYP2C19CYP2C9TDP1 | |
| SCHEMBL31675157 | 0.74 | CYP2D6 (0.53) | CYP2D6CYP1A2CYP2C19CYP2C9ACHE | |
| SCHEMBL11586023 | 0.74 | CYP2D6 (0.53) | CYP2D6CYP1A2CYP2C19CYP2C9ACHE | |
| SCHEMBL16217107 | 0.74 | CYP1A2 (0.53) | CYP2D6CYP1A2CYP2C19CYP2C9TDP1 | |
| SCHEMBL8851082 | 0.73 | CYP1A2 (0.48) | CYP2D6CYP1A2CYP2C19CYP2C9SIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1332127-A2 | AMIDINO-UREA SEROTONIN RECEPTOR LIGANDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND METHODS FOR THEIR SNYTHESIS | Warner-Lambert Company LLC (US) | 2003-08-06 | — | — | EP | disclosed |
| WO-2002036554-A2 | AMIDINO-UREA SEROTONIN RECEPTOR LIGANDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND METHODS FOR THEIR SNYTHESIS | WARNER-LAMBERT COMPANY LLC (US) | 2002-05-10 | — | — | WO | disclosed |