Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRPK1 | Q96SB4 | 3/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.38 |
| ▸ | USP2 | O75604 | 5/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | SCD | O00767 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | GNRHR | P30968 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21301988 | 0.88 | GBA1 (0.40) | SRPK1GRM5CYP3A4CYP2C9CYP1A2 | |
| SCHEMBL28509589 | 0.85 | DRD4 (0.39) | TSHRSMN1; SMN2THRBALDH1A1TP53 | |
| SCHEMBL30516360 | 0.84 | NCF1 (0.43) | SRPK1CYP2C9CYP2D6CYP1A2TSHR | |
| SCHEMBL21291621 | 0.84 | NCF1 (0.43) | SRPK1CYP2C9CYP2D6CYP1A2TSHR | |
| SCHEMBL28490456 | 0.82 | ALDH1A1 (0.36) | THRBALDH1A1 | |
| SCHEMBL30516380 | 0.79 | PLA2G1B (0.45) | CYP3A4CYP2C9CYP2D6CYP1A2TSHR | |
| SCHEMBL28499561 | 0.79 | MAPT (0.40) | SRPK1CYP3A4USP2CYP2C9CYP1A2 | |
| SCHEMBL28502343 | 0.79 | CCR2 (0.38) | ALDH1A1 | |
| SCHEMBL21301933 | 0.73 | SMN1; SMN2 (0.41) | CYP2C9CYP1A2TSHRCYP2C19SMN1; SMN2 | |
| SCHEMBL21302004 | 0.72 | CHRM2 (0.44) | SCD |
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-112041300-B | Indole and benzimidazole derivatives as dual 5-HT2A and 5-HT6 receptor antagonists | 阿达梅德制药公司 | 2023-07-28 | — | — | CN | disclosed |