Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.52 |
| ▸ | RAB9A | P51151 | 6/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | PTGES | O14684 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | CTSV | O60911 | 2/20 | 0.44 |
| ▸ | CTSL | P07711 | 2/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8973926 | 0.82 | ALDH1A1 (0.50) | NPC1RAB9AMAPTLMNAHPGD | |
| SCHEMBL27388637 | 0.81 | HTR1A (0.55) | NPC1RAB9APIN1ALDH1A1L3MBTL1 | |
| SCHEMBL8563611 | 0.78 | PIN1 (0.54) | NPC1RAB9ASMN1; SMN2LMNAHTT | |
| SCHEMBL8091636 | 0.77 | POLB (0.51) | NPC1RAB9AMAPTSMN1; SMN2LMNA | |
| SCHEMBL28160763 | 0.77 | CYP19A1 (0.48) | NPC1RAB9AMAPTSMN1; SMN2LMNA | |
| SCHEMBL1041077 | 0.77 | PTGES (0.48) | NPC1RAB9APIN1PTGESPOLB | |
| SCHEMBL4595353 | 0.76 | ALDH1A1 (0.55) | MAPTSMN1; SMN2LMNAHPGDPIN1 | |
| SCHEMBL14842371 | 0.76 | POLB (0.53) | NPC1RAB9AMAPTSMN1; SMN2LMNA | |
| SCHEMBL2477351 | 0.75 | CTSV (0.50) | NPC1RAB9AMAPTPIN1L3MBTL1 | |
| SCHEMBL15154690 | 0.75 | ALDH1A1 (0.53) | NPC1RAB9AMAPTPIN1ALDH1A1 |
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-116947678-A | Nitrogen-atom-disubstituted aromatic ring micromolecular organic compound, derivatives thereof and application of nitrogen-atom-disubstituted aromatic ring micromolecular organic compound in preparation of antibacterial drugs | 河南大学 | 2023-10-27 | — | — | CN | disclosed |