Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 12/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 12/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 10/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 8/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.37 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.37 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9512873 | 0.87 | CHRNB2 (0.43) | TDP1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL1615800 | 0.74 | CHRNB2 (0.58) | TDP1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL16846175 | 0.74 | — | — | |
| SCHEMBL103866 | 0.74 | — | — | |
| SCHEMBL105805 | 0.74 | — | — | |
| SCHEMBL8903486 | 0.74 | — | — | |
| SCHEMBL12258200 | 0.73 | TDP1 (0.53) | TDP1ALDH1A1 | |
| SCHEMBL103502 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL4578644 | 0.72 | CHRNB2 (0.40) | TDP1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL8891481 | 0.72 | — | — |
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-2606030-A1 | PROCESS FOR THE PREPARATION OF TAPENTADOL | Indoco Remedies Limited (IN) | 2013-06-26 | — | — | EP | claimed |
| WO-2012023147-A1 | PROCESS FOR THE PREPARATION OF TAPENTADOL | INDOCO REMEDIES LIMITED (IN) | 2012-02-23 | — | — | WO | claimed |