Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.46 |
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | PLAU | P00749 | 1/20 | 0.39 |
| ▸ | FDPS | P14324 | 4/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28293051 | 0.88 | NOS3 (0.42) | NAPRTNOS3NOS1NOS2NPC1 | |
| SCHEMBL77971 | 0.87 | — | — | |
| SCHEMBL30937183 | 0.87 | — | — | |
| Formic Acid SCHEMBL29023478 | 0.76 | MKNK1 (0.41) | NAPRTKDM4E | |
| Formic Acid SCHEMBL28014997 | 0.76 | TRIM24 (0.52) | NOS3NOS1NOS2NPC1RAB9A | |
| Formic Acid SCHEMBL28564246 | 0.76 | NAPRT (0.46) | NAPRTNPC1RAB9AKDM4EL3MBTL1 | |
| Formic Acid SCHEMBL27896714 | 0.76 | LMNA (0.46) | NOS3NOS1NOS2NPC1RAB9A | |
| Formic Acid SCHEMBL27958614 | 0.76 | PLAU (0.44) | NAPRTNPC1RAB9AKDM4EPLAU | |
| SCHEMBL5790425 | 0.74 | ALDH1A1 (0.61) | KDM4EL3MBTL1MAPTHTTCYP1A2 | |
| Formic Acid SCHEMBL31245498 | 0.73 | CTH (0.41) | NOS3NOS1NOS2NPC1RAB9A |
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-106795177-B | BACE1 inhibitors | 豪夫迈·罗氏有限公司 | 2019-04-23 | — | — | CN | disclosed |
| CN-105683199-A | 5-aryl-1-imino-1-oxo- [1,2,4] thiadiazines | 豪夫迈·罗氏有限公司 | 2016-06-15 | — | — | CN | disclosed |