Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.51 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2011354 | 1.00 | TSHR (0.51) | TSHRPYCR1CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL18400704 | 0.83 | TSHR (0.56) | TSHRPYCR1CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9969472 | 0.81 | CRHBP (0.46) | TSHRPYCR1CYP2C19CYP1A2ALDH1A1 | |
| SCHEMBL4600404 | 0.81 | TSHR (0.61) | TSHRPYCR1CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL1205506 | 0.80 | TSHR (0.59) | TSHRPYCR1CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL1205510 | 0.80 | TSHR (0.59) | TSHRPYCR1CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL1206115 | 0.80 | TSHR (0.59) | TSHRPYCR1CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL19072758 | 0.79 | CYP1A2 (0.46) | TSHRPYCR1CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11675709 | 0.78 | TSHR (0.57) | TSHRPYCR1CYP2D6CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL21412744 | 0.78 | TSHR (0.57) | TSHRPYCR1CYP2D6CYP2C9CYP2C19 |
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-2507203-A1 | NEW PROCESS FOR THE PREPARATION OF TAPENTADOL AND INTERMEDIATES THEREOF | Euticals S.P.A. (IT) | 2012-10-10 | — | — | EP | disclosed |
| WO-2011067714-A1 | NEW PROCESS FOR THE PREPARATION OF TAPENTADOL AND INTERMEDIATES THEREOF | ARCHIMICA SRL (IT) | 2011-06-09 | — | — | WO | disclosed |