Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 6/20 | 0.33 |
| ▸ | BCHE | P06276 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CTSD | P07339 | 1/20 | 0.32 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16452796 | 0.79 | NPC1 (0.46) | NPC1HPGDRAB9ASMN1; SMN2SIGMAR1 | |
| SCHEMBL5139855 | 0.78 | ALDH1A1 (0.50) | NPC1HPGDRAB9ASMN1; SMN2SIGMAR1 | |
| SCHEMBL29687292 | 0.78 | ALDH1A1 (0.50) | NPC1HPGDRAB9ASMN1; SMN2SIGMAR1 | |
| SCHEMBL30138428 | 0.76 | CYP2D6 (0.46) | NPC1HPGDRAB9ASMN1; SMN2TRPA1 | |
| SCHEMBL4236497 | 0.73 | HPGD (0.44) | NPC1HPGDRAB9ASMN1; SMN2TRPA1 | |
| SCHEMBL904938 | 0.73 | NPC1 (0.55) | NPC1HPGDRAB9ASMN1; SMN2TRPA1 | |
| SCHEMBL2013879 | 0.69 | NPC1 (0.55) | NPC1HPGDRAB9ASMN1; SMN2TRPA1 | |
| SCHEMBL5008184 | 0.69 | NPC1 (0.55) | NPC1HPGDRAB9ASMN1; SMN2TRPA1 | |
| SCHEMBL2013877 | 0.69 | NPC1 (0.55) | NPC1HPGDRAB9ASMN1; SMN2TRPA1 | |
| SCHEMBL3219206 | 0.69 | SIGMAR1 (0.47) | NPC1HPGDRAB9ASMN1; SMN2SIGMAR1 |
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-108276352-A | A kind of nitrogen-containing heterocycle compound and its preparation method and purposes with eelworm-killing activity | 华东理工大学 | 2018-07-13 | — | — | CN | disclosed |