Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | ESR1 | P03372 | 1/20 | 0.52 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.52 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.52 |
| ▸ | GLB1 | P16278 | 1/20 | 0.52 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.52 |
| ▸ | CTRC | Q99895 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28409009 | 1.00 | NPC1 (0.54) | NPC1MEN1KMT2AESR1PDCD1 | |
| SCHEMBL20251140 | 0.88 | RAB9A (0.50) | NPC1MEN1KMT2ARAB9ACYP2C9 | |
| SCHEMBL20251135 | 0.88 | RAB9A (0.50) | NPC1MEN1KMT2ARAB9ACYP2C9 | |
| SCHEMBL28954 | 0.85 | ESR1 (0.68) | NPC1MEN1KMT2AESR1PDCD1 | |
| Hydroquinone SCHEMBL9580215 | 0.85 | ESR1 (0.68) | NPC1MEN1KMT2AESR1PDCD1 | |
| SCHEMBL22328174 | 0.85 | NPC1 (0.48) | NPC1MEN1KMT2AESR1PDCD1 | |
| SCHEMBL28800543 | 0.83 | ESR1 (0.65) | NPC1MEN1KMT2AESR1PDCD1 | |
| SCHEMBL28657617 | 0.83 | ESR1 (0.65) | NPC1MEN1KMT2AESR1PDCD1 | |
| SCHEMBL29133983 | 0.83 | ESR1 (0.65) | NPC1MEN1KMT2AESR1PDCD1 | |
| SCHEMBL30171502 | 0.83 | ESR1 (0.65) | NPC1MEN1KMT2AESR1PDCD1 |
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-111233697-A | Acrylate azobenzene capable of solid-liquid conversion and preparation method thereof | 桂林理工大学 | 2020-06-05 | — | — | CN | disclosed |