Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 2/20 | 0.39 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | SNCA | P37840 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 2/20 | 0.38 |
| ▸ | ERN1 | O75460 | 1/20 | 0.38 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| Quinoline SCHEMBL28080464 | 0.83 | HTR6 (0.52) | ALDH1A1HTR6ERBB2PTGDR2CYP11B2 | |
| SCHEMBL10412907 | 0.77 | HTR6 (0.58) | HTR6PTGDR2HTR2AHTR2CBRD4 | |
| SCHEMBL28271849 | 0.71 | HTR6 (0.52) | HTR6ERBB2CYP11B2HTR2AHTR2C | |
| SCHEMBL29956480 | 0.70 | KDM4E (0.58) | ALDH1A1LMNAHTTCYP11B2ERN1 | |
| SCHEMBL1071836 | 0.70 | KDM4E (0.58) | ALDH1A1LMNAHTTCYP11B2ERN1 | |
| Quinoline SCHEMBL28046368 | 0.70 | HTR6 (0.52) | ALDH1A1HTR6HTTERBB2CYP11B2 | |
| Quinoline SCHEMBL28001204 | 0.70 | KMT2A (0.56) | ALDH1A1SMN1; SMN2HTR6ERBB2CYP11B2 | |
| SCHEMBL28056761 | 0.69 | HTR6 (0.44) | LMNAHTR6ERBB2PTGDR2CYP11B2 | |
| SCHEMBL8394619 | 0.69 | APP (0.63) | ALDH1A1SMN1; SMN2LMNATDP1HTR6 | |
| SCHEMBL8685326 | 0.69 | ALDH1A1 (0.72) | ALDH1A1SMN1; SMN2LMNATDP1HTR6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105814019-A | Urea derivative or pharmacologically acceptable salt thereof | 杏林制药株式会社 | 2016-07-27 | — | — | CN | disclosed |