Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.40 |
| ▸ | GCGR | P47871 | 1/20 | 0.40 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.40 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 2/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| SCHEMBL10469324 | 0.85 | GAA (0.45) | CYP1A2CYP2C19CYP3A4CYP2C9MAPK13 | |
| SCHEMBL9686709 | 0.82 | KMO (0.40) | CYP2C19CYP3A4CYP2D6HTR2ASLC6A4 | |
| SCHEMBL10776395 | 0.80 | RHEB (0.39) | HTR2ASLC6A4SLC6A2SLC6A3LMNA | |
| SCHEMBL2091154 | 0.80 | TSHR (0.42) | KMT2AALDH1A1HPGDSLC6A4SLC6A2 | |
| SCHEMBL6776995 | 0.78 | COMT (0.40) | MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL7007179 | 0.78 | MAPT (0.42) | GSTP1MAPTTDP1L3MBTL1 | |
| SCHEMBL16720325 | 0.78 | SLC6A4 (0.41) | HTR2ASLC6A4SLC6A2SLC6A3DPP4 | |
| SCHEMBL16720469 | 0.78 | HSD17B1 (0.40) | CYP1A2CYP2C19CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL9775712 | 0.77 | AR (0.44) | CYP1A2CYP2C19CYP2C9KDM4ESMN1; SMN2 | |
| SCHEMBL16059029 | 0.77 | MAOB (0.40) | CYP1A2CYP2C19CYP2C9MEN1KMT2A |
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-1218380-B1 | BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES WHICH ARE SUBSTITUTED ON THE SIXTH RING | GRUENENTHAL GMBH (DE) | 2003-12-17 | — | — | EP | claimed |