Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.65 |
| ▸ | RAB9A | P51151 | 5/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.62 |
| ▸ | MAPT | P10636 | 5/20 | 0.62 |
| ▸ | MEN1 | O00255 | 5/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.62 |
| ▸ | CASP3 | P42574 | 3/20 | 0.62 |
| ▸ | SENP8 | Q96LD8 | 3/20 | 0.62 |
| ▸ | SENP7 | Q9BQF6 | 3/20 | 0.62 |
| ▸ | SENP6 | Q9GZR1 | 3/20 | 0.62 |
| ▸ | HPGD | P15428 | 3/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | CA12 | O43570 | 1/20 | 0.58 |
| ▸ | CA1 | P00915 | 1/20 | 0.58 |
| ▸ | CA2 | P00918 | 1/20 | 0.58 |
| ▸ | CA9 | Q16790 | 1/20 | 0.58 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL5053299 | 0.85 | NPC1 (0.87) | NPC1RAB9AKDM4EMAPTMEN1 | |
| SCHEMBL11217994 | 0.83 | NPC1 (0.61) | NPC1RAB9AKDM4EMAPTMEN1 | |
| SCHEMBL28416625 | 0.83 | NPC1 (0.83) | NPC1RAB9AKDM4EMAPTMEN1 | |
| SCHEMBL10997076 | 0.80 | NPC1 (0.92) | NPC1RAB9AKDM4EMAPTMEN1 | |
| 2-Phenyl-1H-Indole SCHEMBL29363616 | 0.79 | NPC1 (1.00) | NPC1RAB9AKDM4EMAPTMEN1 | |
| 2-Phenyl-1H-Indole SCHEMBL341378 | 0.79 | NPC1 (1.00) | NPC1RAB9AKDM4EMAPTMEN1 | |
| SCHEMBL14213713 | 0.79 | CYP19A1 (0.47) | NPC1RAB9AKDM4EMAPTMEN1 | |
| SCHEMBL31282202 | 0.79 | NPC1 (0.59) | NPC1RAB9AKDM4EMAPTMEN1 | |
| SCHEMBL10222668 | 0.79 | CYP19A1 (0.64) | NPC1RAB9AKDM4EMAPTMEN1 | |
| SCHEMBL10222638 | 0.79 | NPC1 (0.46) | NPC1RAB9AKDM4EMAPTMEN1 |
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-106946808-A | The synthetic method of benzo [1,3,5] triazole octanone derivative | 苏州大学 | 2017-07-14 | — | — | CN | claimed |
| CN-106946808-A | The synthetic method of benzo [1,3,5] triazole octanone derivative | 苏州大学 | 2017-07-14 | — | — | CN | disclosed |