Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.37 |
| ▸ | RELA | Q04206 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12846322 | 0.85 | NPC1 (0.50) | NPC1RAB9AMAPK1HPGDHTT | |
| SCHEMBL20779038 | 0.85 | HPGD (0.50) | NPC1RAB9AMAPK1HPGDHTT | |
| SCHEMBL10071639 | 0.85 | NPC1 (0.50) | NPC1RAB9AMAPK1HPGDHTT | |
| SCHEMBL30426554 | 0.79 | PTGS2 (0.32) | HTTPTGS2SMN1; SMN2 | |
| SCHEMBL21442794 | 0.79 | PTGS2 (0.56) | NPC1RAB9AMAPK1HPGDHTT | |
| SCHEMBL27969511 | 0.79 | PTGS2 (0.56) | NPC1RAB9AMAPK1HPGDHTT | |
| SCHEMBL9174269 | 0.79 | PTGS2 (0.56) | NPC1RAB9AMAPK1HPGDHTT | |
| SCHEMBL16953698 | 0.78 | NPC1 (0.48) | NPC1RAB9AMAPK1HPGDHTT | |
| SCHEMBL16955112 | 0.78 | NPC1 (0.48) | NPC1RAB9AMAPK1HPGDHTT | |
| SCHEMBL16904001 | 0.77 | HTR2A (0.42) | MAPK1HPGDSMN1; SMN2ALDH1A1HSD17B10 |
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-113480393-B | Method for preparing functional polysubstituted aromatic hydrocarbon through series reaction | 湖南大学 | 2023-05-09 | — | — | CN | disclosed |
| WO-2017006296-A1 | N-HYDROXYFORMAMIDE COMPOUNDS AND COMPOSITIONS COMPRISING THEM FOR USE AS BMP1, TLL1 AND/OR TLL2 INHIBITORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2017-01-12 | — | — | WO | disclosed |