Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.47 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2507906 | 0.81 | CYP2D6 (0.54) | CYP2D6GRM2GRM3TDP1CTNNB1 | |
| SCHEMBL8717259 | 0.80 | GRM2 (0.53) | CYP2D6GRM2GRM3TDP1ATM | |
| Hydrochloric Acid SCHEMBL14053682 | 0.80 | CYP2D6 (0.52) | CYP2D6GRM2GRM3TDP1CTNNB1 | |
| SCHEMBL7807670 | 0.78 | SLC6A2 (0.51) | — | |
| Hydrochloric Acid SCHEMBL28760964 | 0.76 | CYP2D6 (0.50) | CYP2D6GRM2GRM3TDP1CTNNB1 | |
| SCHEMBL14660420 | 0.75 | KMT2A (0.48) | — | |
| SCHEMBL11354054 | 0.74 | CYP2D6 (0.62) | CYP2D6ATM | |
| SCHEMBL7806034 | 0.72 | CTSK (0.45) | GRM2GRM3 | |
| Hydrochloric Acid SCHEMBL16113966 | 0.72 | CYP2D6 (0.60) | CYP2D6ATM | |
| SCHEMBL7808704 | 0.72 | MEN1 (0.41) | — |
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-1119553-A1 | MONOMERIC AND DIMERIC HETEROCYCLES, AND THERAPEUTIC USES THEREOF | GEORGETOWN UNIVERSITY (US) | 2001-08-01 | — | — | EP | disclosed |
| WO-2000020390-A1 | MONOMERIC AND DIMERIC HETEROCYCLES, AND THERAPEUTIC USES THEREOF | GEORGETOWN UNIVERSITY (US) | 2000-04-13 | — | — | WO | disclosed |