Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.34 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13372443 | 0.89 | HTR2C (0.46) | HTR2CHTR2AHTR2BCA1CA2 | |
| SCHEMBL548964 | 0.89 | HTR2C (0.46) | HTR2CHTR2AHTR2BCA1CA2 | |
| SCHEMBL18883053 | 0.89 | HTR2C (0.46) | HTR2CHTR2AHTR2BCA1CA2 | |
| SCHEMBL5749290 | 0.89 | HTR2C (0.46) | HTR2CHTR2AHTR2BCA1CA2 | |
| Hydrochloric Acid SCHEMBL13387451 | 0.87 | HTR2C (0.44) | HTR2CHTR2AHTR2BCA1CA2 | |
| Hydrochloric Acid SCHEMBL30259584 | 0.87 | HTR2C (0.44) | HTR2CHTR2AHTR2BCA1CA2 | |
| SCHEMBL10671019 | 0.75 | ALDH1A1 (0.39) | HTR2CHTR2AHTR2BCA1CA2 | |
| SCHEMBL2639368 | 0.72 | CCKBR (0.33) | SMN1; SMN2MTNR1APAX8KCNH2ALDH1A1 | |
| SCHEMBL27362318 | 0.70 | KCNH2 (0.42) | MTNR1AMTNR1BKCNH2EPHX2ALDH1A1 | |
| SCHEMBL15108157 | 0.69 | HTR2C (0.43) | HTR2CHTR2AHTR2BCA1CA2 |
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-108864107-B | Preparation method of indole compound with antibacterial effect | 南通睿沣新材料技术有限公司 | 2020-09-08 | — | — | CN | disclosed |