Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | AKR1C3 | P42330 | 10/20 | 0.55 |
| ▸ | AKR1C2 | P52895 | 10/20 | 0.55 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.55 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.55 |
| ▸ | CDC42 | P60953 | 1/20 | 0.55 |
| ▸ | RAC1 | P63000 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.55 |
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.49 |
| ▸ | TUBB | P07437 | 1/20 | 0.49 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.49 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.49 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.49 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL3315336 | 0.87 | AKR1C3 (0.56) | ALDH1A1LMNAHTTL3MBTL1AKR1C3 | |
| SCHEMBL7241661 | 0.85 | ALDH1A1 (0.51) | ALDH1A1LMNAHTTL3MBTL1PTGS2 | |
| SCHEMBL490776 | 0.84 | ACHE (0.61) | L3MBTL1AKR1C3AKR1C2PTGS2PTGS1 | |
| SCHEMBL14032691 | 0.84 | ACHE (0.61) | L3MBTL1AKR1C3AKR1C2PTGS2PTGS1 | |
| SCHEMBL5122373 | 0.84 | ACHE (0.61) | L3MBTL1AKR1C3AKR1C2PTGS2PTGS1 | |
| Hydrochloric Acid SCHEMBL3225395 | 0.83 | ACHE (0.59) | L3MBTL1AKR1C3AKR1C2PTGS2PTGS1 | |
| SCHEMBL490724 | 0.81 | AKR1C3 (0.57) | AKR1C3AKR1C2PTGS2PTGS1CDC42 | |
| SCHEMBL1002973 | 0.80 | AKR1C3 (0.50) | ALDH1A1LMNAAKR1C3AKR1C2PTGS2 | |
| SCHEMBL3667658 | 0.80 | PTGS2 (0.61) | LMNAHTTAKR1C3AKR1C2PTGS2 | |
| SCHEMBL11082037 | 0.80 | AKR1C3 (0.55) | AKR1C3AKR1C2PTGS2PTGS1CDC42 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2368887-A1 | 1, 2, 3-triazole derivatives for use as stearoyl-COA desaturase inhibitors | Glaxosmithkline LLC (US) | 2011-09-28 | — | — | EP | disclosed |