Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.42 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5307911 | 0.73 | KDM4E (0.74) | KDM4EALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL670012 | 0.72 | ALDH1A1 (0.54) | KDM4EALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL670015 | 0.72 | ALDH1A1 (0.54) | KDM4EALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL17329391 | 0.66 | KDM4E (0.59) | KDM4EALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5117216 | 0.66 | CYP3A4 (0.54) | KDM4EALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7423976 | 0.65 | SMYD3 (0.58) | KDM4EALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9379490 | 0.64 | KMT2A (0.69) | ALDH1A1CYP1A2CYP3A4CYP2C19MAPT | |
| SCHEMBL17481131 | 0.64 | GAA (0.81) | KDM4EALDH1A1SMN1; SMN2MAPTHTT | |
| SCHEMBL10487062 | 0.64 | BCHE (0.52) | KDM4EALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL10035809 | 0.63 | ALDH1A1 (0.64) | KDM4EALDH1A1NPC1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102994611-A | Establishing method for drug screening model of high-throughput Japanese encephalitis virus helicase inhibitor | UNIV HUAZHONG AGRICULTURAL | 2013-03-27 | — | — | CN | disclosed |