Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.47 |
| ▸ | TBK1 | Q9UHD2 | 2/20 | 0.47 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.45 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.43 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.43 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.42 |
| ▸ | GPR119 | Q8TDV5 | 6/20 | 0.41 |
| ▸ | KMO | O15229 | 1/20 | 0.41 |
| ▸ | CFTR | P13569 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | CKS1B | P61024 | 1/20 | 0.40 |
| ▸ | SKP1 | P63208 | 1/20 | 0.40 |
| ▸ | SKP2 | Q13309 | 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 | |
|---|---|---|---|---|
| SCHEMBL8515547 | 0.89 | ACHE (0.47) | ACHETBK1CHRNA7DDB1CRBN | |
| SCHEMBL8512449 | 0.85 | PIK3CA (0.46) | ACHEDDB1CRBNPTPN11GPR119 | |
| SCHEMBL27029498 | 0.83 | CFTR (0.58) | ACHETBK1CHRNA7DDB1CRBN | |
| SCHEMBL30718255 | 0.83 | CFTR (0.58) | ACHETBK1CHRNA7DDB1CRBN | |
| Hydrochloric Acid SCHEMBL8510657 | 0.82 | TBK1 (0.39) | ACHETBK1CHRNA7DDB1CRBN | |
| SCHEMBL3651086 | 0.82 | ACHE (0.57) | ACHETBK1CHRNA7DDB1CRBN | |
| SCHEMBL8514773 | 0.80 | ADRB1 (0.43) | ACHETBK1KMO | |
| Hydrochloric Acid SCHEMBL8514967 | 0.79 | ADRB1 (0.42) | ACHETBK1KMO | |
| SCHEMBL8514838 | 0.78 | ACHE (0.51) | ACHETBK1CHRNA7DDB1CRBN | |
| SCHEMBL3274585 | 0.78 | ACHE (0.66) | ACHETBK1CHRNA7DDB1CRBN |
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-2012069852-A1 | PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE | ALMAC DISCOVERY LIMITED (GB) | 2012-05-31 | — | — | WO | disclosed |