Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 3/20 | 0.68 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.61 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.61 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.61 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.61 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.61 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.55 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.51 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.51 |
| ▸ | MLNR | O43193 | 1/20 | 0.50 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.50 |
| ▸ | PGR | P06401 | 1/20 | 0.50 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.50 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL28942158 | 0.98 | LTA4H (0.66) | LTA4HCHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL28942149 | 0.96 | LTA4H (0.66) | LTA4HCHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL10300046 | 0.90 | NR5A1 (0.66) | LTA4HNR5A1TP53TSHRPLA2G4B | |
| SCHEMBL15559300 | 0.90 | NR5A1 (0.66) | LTA4HNR5A1TP53TSHRPLA2G4B | |
| SCHEMBL30108320 | 0.90 | KCNA3 (0.65) | LTA4HCHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL30108307 | 0.88 | KCNA3 (0.62) | LTA4HCHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL28126171 | 0.86 | TP53 (0.59) | LTA4HNR5A1TP53TSHRPLA2G4B | |
| SCHEMBL29390021 | 0.85 | NR5A1 (0.59) | LTA4HNR5A1TP53TSHRPLA2G4B | |
| SCHEMBL9335867 | 0.85 | NR5A1 (0.55) | LTA4HNR5A1TP53TSHRPLA2G4B | |
| SCHEMBL12442574 | 0.84 | LTA4H (0.61) | LTA4HCHRNB2CHRNB4CHRNA3CHRNA7 |
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-110483407-A | N- methyl substituted benzimidazole liquid-crystal compounds containing acetylene bond and preparation method thereof | UNIV SHAANXI NORMAL | 2019-11-22 | — | — | CN | disclosed |