Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.63 |
| ▸ | RAB9A | P51151 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | BCHE | P06276 | 5/20 | 0.58 |
| ▸ | ACHE | P22303 | 5/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | FPR2 | P25090 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL29140896 | 0.82 | ALDH1A1 (0.71) | NPC1RAB9AALDH1A1NPSR1TSHR | |
| SCHEMBL11146506 | 0.81 | ALDH1A1 (0.66) | NPC1RAB9AALDH1A1NPSR1POLB | |
| SCHEMBL11137902 | 0.79 | KMT2A (0.61) | ALDH1A1NPSR1TSHRPOLBL3MBTL1 | |
| SCHEMBL11145102 | 0.79 | POLB (0.65) | ALDH1A1NPSR1TSHRPOLBLMNA | |
| SCHEMBL11143571 | 0.79 | ALOX15 (0.64) | ALDH1A1NPSR1TSHRPOLBLMNA | |
| SCHEMBL30734410 | 0.79 | KMT2A (0.67) | NPC1RAB9AALDH1A1NPSR1POLB | |
| SCHEMBL11139312 | 0.79 | KMT2A (0.67) | NPC1RAB9AALDH1A1NPSR1POLB | |
| SCHEMBL7872336 | 0.79 | KMT2A (0.80) | NPC1RAB9AALDH1A1NPSR1POLB | |
| SCHEMBL27968222 | 0.79 | CYP1A2 (0.52) | NPC1RAB9AALDH1A1NPSR1L3MBTL1 | |
| SCHEMBL11142938 | 0.77 | ALDH1A1 (1.00) | ALDH1A1NPSR1POLBL3MBTL1 |
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-117383994-A | Preparation method of asymmetric urea compound and asymmetric urea compound | 内蒙古工业大学 | 2024-01-12 | — | — | CN | disclosed |