Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.65 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | NPFFR1 | Q9GZQ6 | 4/20 | 0.49 |
| ▸ | NPFFR2 | Q9Y5X5 | 4/20 | 0.49 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.49 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA4 | P22748 | 1/20 | 0.45 |
| ▸ | CA5A | P35218 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL20187025 | 0.85 | ALDH1A1 (0.61) | ALDH1A1CYP2D6TSHRNPFFR1NPFFR2 | |
| SCHEMBL28105514 | 0.85 | CYP2D6 (0.61) | ALDH1A1CYP2D6TSHRNPFFR1NPFFR2 | |
| SCHEMBL2996293 | 0.83 | CYP2D6 (0.68) | ALDH1A1CYP2D6TSHRNPFFR1NPFFR2 | |
| SCHEMBL3210066 | 0.83 | CYP2D6 (0.76) | ALDH1A1CYP2D6TSHRNPFFR1NPFFR2 | |
| SCHEMBL3939085 | 0.83 | CYP2D6 (0.65) | ALDH1A1CYP2D6TSHRSMN1; SMN2NPFFR1 | |
| SCHEMBL16876740 | 0.81 | CYP2D6 (0.60) | ALDH1A1CYP2D6TSHRNPFFR1NPFFR2 | |
| SCHEMBL7707050 | 0.80 | ALDH1A1 (0.61) | ALDH1A1CYP2D6TSHRSMN1; SMN2NPFFR1 | |
| SCHEMBL16876743 | 0.80 | CYP2D6 (0.57) | ALDH1A1CYP2D6TSHRNPFFR1NPFFR2 | |
| SCHEMBL971337 | 0.80 | CYP2D6 (0.70) | ALDH1A1CYP2D6TSHRNPFFR1NPFFR2 | |
| SCHEMBL15026729 | 0.79 | SMN1; SMN2 (0.53) | ALDH1A1CYP2D6TSHRSMN1; SMN2RECQL |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0921125-B1 | 1,3,8-Triazaspiro[4,5]decan-4-on derivatives | HOFFMANN LA ROCHE (CH) | 2002-01-30 | — | — | EP | disclosed |
| US-6043366-A | USEFUL IN TREATING DISORDERS INVOLVING THE ORPHANIN FQ(A SEVENTEEN AMINO ACID LONG PEPTIDE) RECEPTOR. | HOFFMAN-LA ROCHE INC. (US) | 2000-03-28 | — | — | US | disclosed |
| EP-0921125-A1 | 1,3,8-Triaza-spiro 4,5 decan-4-on derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1999-06-09 | — | — | EP | disclosed |