Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.43 |
| ▸ | HTR3B | O95264 | 2/20 | 0.43 |
| ▸ | HTR3A | P46098 | 2/20 | 0.43 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.43 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | HTR1D | P28221 | 1/20 | 0.41 |
| ▸ | HTR1B | P28222 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MPI | P34949 | 1/20 | 0.41 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.41 |
| ▸ | NCF1 | P14598 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7355029 | 0.96 | CYP1A2 (0.48) | CYP1A2CYP2D6HTR3EHTR3BHTR3A | |
| SCHEMBL7349951 | 0.79 | HRH4 (0.56) | HTR1AALDH1A1KDM4ENPC1HPGD | |
| SCHEMBL13202414 | 0.76 | CYP1A2 (0.56) | CYP1A2CYP2D6SIGMAR1ALDH1A1MAPT | |
| SCHEMBL7356028 | 0.75 | CYP1A2 (0.55) | CYP1A2CYP2D6SIGMAR1ALDH1A1MAPT | |
| SCHEMBL7348643 | 0.75 | CYP1A2 (0.55) | CYP1A2CYP2D6SIGMAR1ALDH1A1MAPT | |
| SCHEMBL7350762 | 0.75 | HRH4 (0.52) | HTR3AHTR1AALDH1A1KDM4ENCF1 | |
| SCHEMBL7350260 | 0.67 | HRH1 (0.55) | HTR1AALDH1A1KDM4EHPGDSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL7352883 | 0.67 | CYP1A2 (0.41) | CYP1A2CYP2D6HTR3ASIGMAR1ALDH1A1 | |
| SCHEMBL13659249 | 0.66 | CYP1A2 (1.00) | CYP1A2CYP2D6ALDH1A1MAPTKDM4E | |
| SCHEMBL31649581 | 0.66 | CYP1A2 (0.60) | CYP1A2CYP2D6ALDH1A1MAPTKDM4E |
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-5880121-A | SEROTONIN 5HT3 ANTAGONIST, USEFUL FOR TREATING ANXIETY, PHYCHIATRIC DISORDERS, NAUSEA, VOMITING AND DRUG DEPENDENCY | HOECHST MARION ROUSSEL INC. (US) | 1999-03-09 | — | — | US | disclosed |