Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14426759 | 0.81 | KCNH2 (0.81) | KCNH2ALDH1A1HPGD | |
| SCHEMBL5388271 | 0.81 | KCNH2 (0.81) | KCNH2ALDH1A1HPGD | |
| SCHEMBL14426764 | 0.81 | KCNH2 (0.81) | KCNH2ALDH1A1HPGD | |
| SCHEMBL14426763 | 0.81 | KCNH2 (0.81) | KCNH2ALDH1A1HPGD | |
| SCHEMBL5390476 | 0.81 | KCNH2 (0.81) | KCNH2ALDH1A1HPGD | |
| SCHEMBL5395590 | 0.81 | KCNH2 (0.81) | KCNH2ALDH1A1HPGD | |
| SCHEMBL18590292 | 0.78 | KCNH2 (0.52) | KCNH2ALDH1A1LMNAHTTSMN1; SMN2 | |
| SCHEMBL18575058 | 0.76 | KCNH2 (0.62) | KCNH2ALDH1A1LMNAHTTSMN1; SMN2 | |
| SCHEMBL17233006 | 0.76 | KCNH2 (0.62) | KCNH2ALDH1A1LMNAHTTSMN1; SMN2 | |
| SCHEMBL16993710 | 0.75 | KCNH2 (0.68) | KCNH2ALDH1A1LMNAHTTSMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104744433-B | ALD and the purposes as EV71 virus with CAV16 viral inhibitors thereof | 中国科学院生物物理研究所 | 2016-09-21 | — | — | CN | disclosed |
| CN-104744433-A | ALD and application thereof as EV71 virus and CAV16 virus inhibitor | INST BIOPHYSICS CN ACAD SCI | 2015-07-01 | — | — | CN | disclosed |