Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 7/20 | 0.52 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.52 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.52 |
| ▸ | HTR6 | P50406 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MET | P08581 | 4/20 | 0.41 |
| ▸ | PPARG | P37231 | 2/20 | 0.40 |
| ▸ | PPARD | Q03181 | 2/20 | 0.40 |
| ▸ | PPARA | Q07869 | 2/20 | 0.40 |
| ▸ | CCR1 | P32246 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3099740 | 0.85 | AKR1C3 (0.55) | AKR1C3AKR1C2AKR1C1HTR6LMNA | |
| SCHEMBL15062836 | 0.83 | AKR1C3 (0.53) | AKR1C3AKR1C2AKR1C1HTR6LMNA | |
| SCHEMBL3096000 | 0.70 | AKR1C3 (0.49) | AKR1C3AKR1C2AKR1C1SMN1; SMN2PPARG | |
| SCHEMBL3091181 | 0.69 | BDKRB1 (0.47) | SMN1; SMN2MET | |
| SCHEMBL6446298 | 0.69 | KMT2A (0.62) | AKR1C3AKR1C1LMNASMN1; SMN2 | |
| SCHEMBL14591320 | 0.68 | MEN1 (0.66) | AKR1C3AKR1C2AKR1C1HTR6LMNA | |
| SCHEMBL3095109 | 0.67 | AKR1C3 (0.57) | AKR1C3AKR1C2AKR1C1HTR6LMNA | |
| SCHEMBL14473583 | 0.66 | ALDH1A1 (0.52) | LMNASMN1; SMN2CCR1 | |
| SCHEMBL2957547 | 0.66 | HTT (0.56) | LMNA | |
| SCHEMBL15062790 | 0.65 | ESR2 (0.51) | — |
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-2393812-B1 | SUBSTITUTED SPIROAMIDES AS B1R-MODULATORS | GRUENENTHAL GMBH (DE) | 2013-07-03 | — | — | EP | disclosed |