Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | SYK | P43405 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | PRKCA | P17252 | 1/20 | 0.35 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.35 |
| ▸ | RASGRP3 | Q8IV61 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.34 |
| ▸ | PTPRA | P18433 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28313657 | 0.82 | OPRM1 (0.41) | SLC6A4CYP2D6SLC6A2SLC6A3ALDH1A1 | |
| SCHEMBL28023208 | 0.81 | OPRM1 (0.31) | OPRM1 | |
| SCHEMBL28023815 | 0.78 | CYP17A1 (0.39) | CYP1A2ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL27935397 | 0.75 | HTR1A (0.39) | SLC6A4SLC6A2SLC6A3TP53ALDH1A1 | |
| SCHEMBL28818066 | 0.74 | DRD2 (0.41) | CYP1A2POLBCYP2D6SMN1; SMN2ALDH1A1 | |
| SCHEMBL27942394 | 0.73 | SLC6A4 (0.44) | CYP1A2POLBSLC6A4CYP2D6SLC6A2 | |
| Tert-Butyl Formate SCHEMBL28023820 | 0.73 | CYP46A1 (0.40) | CYP1A2POLBSLC6A4CYP2D6SLC6A2 | |
| SCHEMBL13278538 | 0.72 | POLB (0.53) | POLBALDH1A1OPRM1HSD17B10MEN1 | |
| SCHEMBL1087370 | 0.72 | CYP46A1 (0.46) | CYP1A2SLC6A4CYP2D6SLC6A2SLC6A3 | |
| SCHEMBL29571928 | 0.72 | CYP46A1 (0.46) | CYP1A2SLC6A4CYP2D6SLC6A2SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105121425-A | Therapeutic compounds and compositions | AGIOS PHARMACEUTICALS INC | 2015-12-02 | — | — | CN | disclosed |
| CN-101087794-B | Pharmaceutical compounds | HOFFMANN LA ROCHE | 2011-05-18 | — | — | CN | disclosed |
| CN-101087794-A | Pharmaceutical compounds | PIRAMED LTD (GB) | 2007-12-12 | — | — | CN | disclosed |