Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN1A | P35498 | 3/20 | 0.35 |
| ▸ | SCN2A | Q99250 | 3/20 | 0.35 |
| ▸ | SCN3A | Q9NY46 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | HTR1A | P08908 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | METAP2 | P50579 | 1/20 | 0.31 |
| ▸ | METAP1 | P53582 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.31 |
| ▸ | TSHR | P16473 | 3/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19906319 | 0.79 | GRIN2D (0.32) | METAP2METAP1TDP1TSHRALDH1A1 | |
| SCHEMBL15499370 | 0.79 | GRIN2D (0.32) | METAP2METAP1TDP1TSHRALDH1A1 | |
| SCHEMBL18430098 | 0.79 | CA14 (0.35) | CA1CA2METAP2METAP1TDP1 | |
| SCHEMBL23327618 | 0.78 | CA14 (0.45) | SCN1ASCN2ASCN3ACYP3A4HTR1A | |
| SCHEMBL17929538 | 0.78 | CA14 (0.45) | SCN1ASCN2ASCN3ACYP3A4HTR1A | |
| SCHEMBL24149385 | 0.77 | GRIN2D (0.37) | CYP3A4CYP1A2METAP2METAP1CYP2D6 | |
| SCHEMBL11183460 | 0.76 | SCN1A (0.44) | SCN1ASCN2ASCN3ACYP3A4HTR1A | |
| SCHEMBL7904488 | 0.76 | SCN1A (0.44) | SCN1ASCN2ASCN3ACYP3A4HTR1A | |
| SCHEMBL21385629 | 0.75 | ACHE (0.38) | CA1CA2ZDHHC7 | |
| SCHEMBL28986517 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2890704-B1 | 2'-ETHYNYL NUCLEOSIDE DERIVATIVES FOR TREATMENT OF VIRAL INFECTIONS | NOVARTIS AG (CH) | 2018-02-28 | — | — | EP | disclosed |