Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D | P25100 | 2/20 | 0.72 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.72 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.72 |
| ▸ | NPC1 | O15118 | 1/20 | 0.72 |
| ▸ | MLNR | O43193 | 1/20 | 0.72 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.72 |
| ▸ | EGFR | P00533 | 1/20 | 0.72 |
| ▸ | LMNA | P02545 | 1/20 | 0.72 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.72 |
| ▸ | FYN | P06241 | 1/20 | 0.72 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.72 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.72 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.72 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.72 |
| ▸ | HTR1A | P08908 | 1/20 | 0.72 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.72 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.72 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.72 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.72 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.72 |
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 | |
|---|---|---|---|---|
| SCHEMBL8814073 | 0.91 | NPC1 (0.78) | ADRA1DADRA1AADRA1BNPC1MLNR | |
| SCHEMBL31008798 | 0.88 | ADRA1D (0.54) | ADRA1DADRA1AADRA1BNPC1MLNR | |
| SCHEMBL6101514 | 0.87 | ADRA1D (0.81) | ADRA1DADRA1AADRA1BNPC1MLNR | |
| Fumaric Acid SCHEMBL10764614 | 0.87 | NPC1 (0.72) | ADRA1DADRA1AADRA1BNPC1MLNR | |
| Carebastine SCHEMBL18538 | 0.86 | LMNA (0.85) | ADRA1DADRA1AADRA1BNPC1MLNR | |
| SCHEMBL28837719 | 0.86 | ADRA1D (0.73) | ADRA1DADRA1AADRA1BNPC1MLNR | |
| SCHEMBL28837710 | 0.85 | ADRA1D (0.78) | ADRA1DADRA1AADRA1BNPC1MLNR | |
| SCHEMBL28837707 | 0.85 | ADRA1D (0.78) | ADRA1DADRA1AADRA1BNPC1MLNR | |
| SCHEMBL28837716 | 0.85 | NPC1 (0.69) | ADRA1DADRA1AADRA1BNPC1MLNR | |
| SCHEMBL28837725 | 0.85 | NPC1 (0.71) | ADRA1DADRA1AADRA1BNPC1MLNR |
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-114890994-A | Histamine receptor antagonist and preparation thereof | 成都施贝康生物医药科技有限公司 | 2022-08-12 | — | — | CN | disclosed |