Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 7/20 | 0.53 |
| ▸ | AKR1C1 | Q04828 | 3/20 | 0.53 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.53 |
| ▸ | HTR6 | P50406 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | PPARD | Q03181 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3095109 | 0.84 | AKR1C3 (0.57) | AKR1C3AKR1C1AKR1C2HTR6TSHR | |
| SCHEMBL15062845 | 0.83 | AKR1C3 (0.52) | AKR1C3AKR1C1AKR1C2HTR6LMNA | |
| SCHEMBL6448521 | 0.77 | KMT2A (0.63) | AKR1C3AKR1C1HTR6TSHRLMNA | |
| SCHEMBL23498098 | 0.68 | TSHR (0.63) | TSHRLMNAKMT2ASMN1; SMN2CHRM1 | |
| SCHEMBL29784717 | 0.68 | TSHR (0.63) | TSHRLMNAKMT2ASMN1; SMN2CHRM1 | |
| SCHEMBL3322955 | 0.67 | HTR6 (1.00) | AKR1C3AKR1C2HTR6TSHRLMNA | |
| SCHEMBL31684036 | 0.67 | TSHR (1.00) | TSHRLMNAKMT2ASMN1; SMN2L3MBTL1 | |
| SCHEMBL493231 | 0.67 | TSHR (1.00) | TSHRLMNAKMT2ASMN1; SMN2L3MBTL1 | |
| SCHEMBL15062790 | 0.67 | ESR2 (0.51) | ESR2 | |
| SCHEMBL3099740 | 0.67 | AKR1C3 (0.55) | AKR1C3AKR1C1AKR1C2HTR6LMNA |
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 |