Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | HTR2B | P41595 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CCR2 | P41597 | 1/20 | 0.34 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Formic Acid SCHEMBL28071298 | 0.84 | MAPK1 (0.40) | HTR2ASLC6A4KCNH2HTR2CHTR2B | |
| SCHEMBL935657 | 0.83 | — | — | |
| SCHEMBL6650982 | 0.81 | CYP3A4 (0.46) | HTR2ASLC6A4KCNH2HTR2CHTR2B | |
| 1,4-Dichlorobenzene SCHEMBL28148441 | 0.76 | HSD17B10 (0.50) | TSHRCYP3A4PTGS2TDP1ALDH1A1 | |
| Formic Acid Methyl Ester SCHEMBL28165664 | 0.76 | CYP3A4 (0.70) | TSHRCYP3A4TDP1ALDH1A1LMNA | |
| Formic Acid Methyl Ester SCHEMBL28112146 | 0.74 | ACHE (0.65) | TSHRALDH1A1LMNAMAPK1 | |
| Formic Acid Methyl Ester SCHEMBL29876092 | 0.73 | MEN1 (0.45) | ALDH1A1LMNA | |
| Formic Acid Methyl Ester SCHEMBL28075527 | 0.73 | RELA (0.44) | TSHRTDP1ALDH1A1HPGD | |
| Formic Acid Methyl Ester SCHEMBL28081502 | 0.71 | APP (0.42) | PTGS2TDP1LMNAHPGDCCR2 | |
| SCHEMBL11084246 | 0.71 | TSHR (0.49) | HTR2ASLC6A4KCNH2HTR2CHTR2B |
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-103298474-B | Heterocyclic compound and application thereof | 无限药品股份有限公司 | 2016-06-29 | — | — | CN | disclosed |