Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 11/20 | 0.55 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | BACE1 | P56817 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9127008 | 0.93 | DRD2 (0.60) | DRD2SIGMAR1ACHEBACE1TDP1 | |
| SCHEMBL8254760 | 0.89 | DRD2 (0.64) | DRD2SIGMAR1TDP1CACNA1HMEN1 | |
| SCHEMBL18851206 | 0.88 | DRD2 (0.56) | DRD2SIGMAR1ACHEBACE1TDP1 | |
| SCHEMBL4743239 | 0.87 | ACHE (0.58) | DRD2SIGMAR1ACHEBACE1TDP1 | |
| Iodide SCHEMBL15145961 | 0.87 | DRD2 (0.57) | DRD2SIGMAR1ACHEBACE1TDP1 | |
| SCHEMBL13609474 | 0.84 | DRD2 (0.60) | DRD2SIGMAR1TDP1CACNA1HMEN1 | |
| SCHEMBL16708685 | 0.83 | DRD2 (0.59) | DRD2SIGMAR1ACHEBACE1TDP1 | |
| SCHEMBL31596990 | 0.83 | DRD2 (0.58) | DRD2SIGMAR1ACHEBACE1TDP1 | |
| SCHEMBL4572542 | 0.83 | DRD2 (0.60) | DRD2SIGMAR1ACHEBACE1TDP1 | |
| SCHEMBL30380945 | 0.83 | DRD2 (0.59) | DRD2SIGMAR1TDP1CACNA1HMEN1 |
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-2023056910-A1 | PROCESSES FOR PREPARING A MACROCYCLIC COMPOUND HAVING ENT1 INHIBITING ACTIVITY | iTeos Belgium SA (BE) | 2023-04-13 | — | — | WO | disclosed |