Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.67 |
| ▸ | RAB9A | P51151 | 4/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.67 |
| ▸ | MEN1 | O00255 | 3/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.67 |
| ▸ | PKM | P14618 | 2/20 | 0.67 |
| ▸ | HPGD | P15428 | 2/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.67 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.67 |
| ▸ | TUBB4A | P04350 | 8/20 | 0.64 |
| ▸ | TUBB | P07437 | 8/20 | 0.64 |
| ▸ | TUBA3C | P0DPH7 | 8/20 | 0.64 |
| ▸ | TUBA1B | P68363 | 8/20 | 0.64 |
| ▸ | TUBA4A | P68366 | 8/20 | 0.64 |
| ▸ | TUBB4B | P68371 | 8/20 | 0.64 |
| ▸ | TUBB3 | Q13509 | 8/20 | 0.64 |
| ▸ | TUBB2A | Q13885 | 8/20 | 0.64 |
| ▸ | TUBB8 | Q3ZCM7 | 8/20 | 0.64 |
| ▸ | TUBA3E | Q6PEY2 | 8/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL29467913 | 1.00 | NPC1 (0.67) | NPC1RAB9AKDM4EMEN1ALDH1A1 | |
| SCHEMBL1798566 | 0.85 | KDM4E (0.55) | NPC1RAB9AKDM4EMEN1ALDH1A1 | |
| SCHEMBL1798560 | 0.85 | KDM4E (0.55) | NPC1RAB9AKDM4EMEN1ALDH1A1 | |
| SCHEMBL29467917 | 0.83 | NPC1 (0.64) | NPC1RAB9AKDM4EMEN1ALDH1A1 | |
| SCHEMBL28258355 | 0.83 | NPC1 (0.64) | NPC1RAB9AKDM4EMEN1ALDH1A1 | |
| SCHEMBL4623517 | 0.82 | MEN1 (0.72) | NPC1RAB9AKDM4EMEN1ALDH1A1 | |
| SCHEMBL29467921 | 0.82 | NPC1 (0.67) | NPC1RAB9AKDM4EMEN1ALDH1A1 | |
| SCHEMBL12350700 | 0.82 | NPC1 (0.67) | NPC1RAB9AKDM4EMEN1ALDH1A1 | |
| SCHEMBL8547925 | 0.81 | NPC1 (0.76) | NPC1RAB9AKDM4EMEN1ALDH1A1 | |
| SCHEMBL8547923 | 0.81 | NPC1 (0.76) | NPC1RAB9AKDM4EMEN1ALDH1A1 |
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-108947911-B | Benzimidazole compound with anti-hepatitis B virus activity and antibacterial activity and synthesis method and application thereof | 中山大学 | 2022-02-22 | — | — | CN | disclosed |