Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR4 | Q13639 | 5/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | NQO2 | P16083 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 4/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.37 |
| ▸ | HTR3B | O95264 | 2/20 | 0.37 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.37 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7417517 | 0.93 | HTR4 (0.42) | HTR4GAAKDM4EALDH1A1NQO2 | |
| SCHEMBL7410791 | 0.88 | KDM4E (0.36) | HTR4GAAKDM4EALDH1A1ABL1 | |
| SCHEMBL7419404 | 0.85 | KDM4E (0.40) | GAAKDM4EALDH1A1ABL1ACHE | |
| SCHEMBL7411412 | 0.85 | HTT (0.34) | HTR4GAAKDM4EALDH1A1HTR3A | |
| SCHEMBL7417661 | 0.84 | HTR4 (0.39) | HTR4GAAKDM4EALDH1A1HTR3A | |
| SCHEMBL7414100 | 0.83 | GAA (0.33) | HTR4GAAKDM4EALDH1A1NQO2 | |
| SCHEMBL14810489 | 0.79 | HTR4 (0.58) | HTR4GAAKDM4EALDH1A1NQO2 | |
| SCHEMBL14810317 | 0.79 | HTR4 (0.48) | HTR4GAAKDM4EALDH1A1HTR3A | |
| SCHEMBL7410564 | 0.79 | KDM4E (0.43) | HTR4GAAKDM4EALDH1A1LMNA | |
| SCHEMBL13315460 | 0.76 | ALDH1A1 (0.41) | HTR4GAAKDM4EALDH1A1NQO2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4935511-A | Nervous system, gastrointestinal disorders | RORER PHARMACEUTICAL CORPORATION (US) | 1990-06-19 | — | — | US | disclosed |