Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.58 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | HRH2 | P25021 | 1/20 | 0.53 |
| ▸ | HRH1 | P35367 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | LTA4H | P09960 | 4/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.49 |
| ▸ | RARB | P10826 | 3/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL1102363 | 0.98 | KCNH2 (0.57) | KCNH2HRH3ALDH1A1KDM4ENPC1 | |
| SCHEMBL28060318 | 0.98 | KCNH2 (0.57) | KCNH2HRH3ALDH1A1KDM4ENPC1 | |
| SCHEMBL6206282 | 0.97 | KCNH2 (0.61) | KCNH2HRH3ALDH1A1KDM4ENPC1 | |
| SCHEMBL10726967 | 0.86 | KDM4E (0.60) | KCNH2HRH3ALDH1A1KDM4ENPC1 | |
| SCHEMBL153946 | 0.83 | RAB9A (0.66) | KCNH2HRH3ALDH1A1KDM4ENPC1 | |
| SCHEMBL10718012 | 0.82 | RAB9A (0.50) | KCNH2HRH3ALDH1A1KDM4ENPC1 | |
| SCHEMBL14819130 | 0.82 | KDM4E (0.50) | KCNH2HRH3ALDH1A1KDM4ENPC1 | |
| SCHEMBL28792293 | 0.81 | ALDH1A1 (0.48) | KCNH2HRH3ALDH1A1KDM4ENPC1 | |
| SCHEMBL16552630 | 0.80 | CYP2D6 (0.58) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL28878454 | 0.79 | KCNH2 (0.53) | KCNH2HRH3ALDH1A1KDM4ENPC1 |
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-105531267-A | Cyclohexadiene fullerene derivatives | MERCK PATENT GMBH | 2016-04-27 | — | — | CN | disclosed |