Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18796296 | 0.80 | MAOB (0.49) | MEN1KMT2AALOX15TDP1PIM1 | |
| SCHEMBL18873161 | 0.73 | ALDH1A1 (0.49) | MEN1KMT2AALOX15TDP1MAPT | |
| SCHEMBL15395749 | 0.72 | MEN1 (0.41) | MEN1KMT2AALOX15TDP1MAOB | |
| SCHEMBL20014743 | 0.69 | HSD17B3 (0.40) | MEN1KMT2AALOX15TDP1PIM1 | |
| SCHEMBL10196640 | 0.68 | MEN1 (0.43) | MEN1KMT2AALOX15TDP1MAOB | |
| SCHEMBL2601352 | 0.67 | NOTUM (0.39) | MEN1KMT2APIM1MAOBNOTUM | |
| SCHEMBL18796516 | 0.67 | ALDH1A1 (0.37) | MEN1KMT2AALOX15TDP1PIM1 | |
| SCHEMBL18796426 | 0.66 | ALDH1A1 (0.41) | TDP1PIM1MAOBMAPTPOLB | |
| SCHEMBL16385845 | 0.66 | HTR2C (0.39) | TDP1PIM1MAPTPOLBHSD17B3 | |
| SCHEMBL8860333 | 0.66 | HSD17B3 (0.47) | TDP1PIM1MAPTPOLBHSD17B3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017072341-A1 | PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2017-05-04 | — | — | WO | disclosed |