Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | HPGD | P15428 | 4/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.48 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL16624688 | 0.92 | ALDH1A1 (0.50) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL16624680 | 0.91 | ALDH1A1 (0.53) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL17954339 | 0.82 | MTNR1A (0.49) | ALDH1A1HPGDMTNR1BMTNR1AKDM4E | |
| SCHEMBL20101355 | 0.77 | MTNR1A (0.44) | ALDH1A1HPGDMTNR1BMTNR1AKDM4E | |
| SCHEMBL20474256 | 0.77 | KDM4E (0.53) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL16624697 | 0.77 | MAPT (0.53) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL27971255 | 0.75 | KDM4E (0.48) | ALDH1A1HPGDHTTKDM4EMAPT | |
| SCHEMBL21610292 | 0.74 | ALDH1A1 (0.49) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL20101473 | 0.73 | ALDH1A1 (0.44) | ALDH1A1HPGDCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8784296 | 0.73 | KDM4E (0.60) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10519446-B2 | Organic compounds to treat hepatitis B virus | NOVARTIS AG (CH) | 2019-12-31 | — | — | US | disclosed |
| US-20160215288-A1 | ORGANIC COMPOUNDS TO TREAT HEPATITIS B VIRUS | NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. | 2016-07-28 | — | — | US | disclosed |
| US-20160215288-A1 | ORGANIC COMPOUNDS TO TREAT HEPATITIS B VIRUS | NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. | 2016-07-28 | — | — | US | disclosed |