Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 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 | |
|---|---|---|---|---|
| SCHEMBL6824790 | 0.82 | CYP2D6 (0.42) | CYP2D6CYP2C9CYP3A4CYP2C19TSHR | |
| SCHEMBL6819861 | 0.75 | SIGMAR1 (0.49) | CYP2D6SIGMAR1ALDH1A1 | |
| SCHEMBL6819672 | 0.69 | SIGMAR1 (0.47) | CYP2D6SIGMAR1 | |
| SCHEMBL6824251 | 0.67 | SIGMAR1 (0.58) | CYP2C9CYP3A4CYP2C19TSHRSIGMAR1 | |
| SCHEMBL6773993 | 0.67 | SIGMAR1 (0.58) | CYP2C9CYP3A4CYP2C19TSHRSIGMAR1 | |
| SCHEMBL29201725 | 0.66 | CYP2D6 (0.58) | CYP2D6CYP2C9CYP3A4CYP2C19TSHR | |
| SCHEMBL14052244 | 0.65 | ACHE (0.57) | CYP2D6CYP2C9TSHR | |
| SCHEMBL13453085 | 0.65 | CYP2D6 (0.62) | CYP2D6CYP2C9CYP3A4CYP2C19TSHR | |
| SCHEMBL6825101 | 0.65 | CYP2D6 (0.49) | CYP2D6CYP2C9CYP3A4CYP2C19TSHR | |
| SCHEMBL31271017 | 0.65 | CYP2D6 (0.46) | CYP2D6TSHRSIGMAR1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004058763-A1 | 4(SPIROPIPERIDINYL)METHYL SUBSTITUTED PYRROLIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2004-07-15 | — | — | WO | disclosed |